smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2oc(C3=CC[N@@H+](Cc4ccccc4)CC3)nc2c1 ZINC000138162360 186014563 /nfs/dbraw/zinc/01/45/63/186014563.db2.gz NFJXNIDBWDWGPK-UHFFFAOYSA-N 1 1 304.393 4.426 40 0 DIABMO Cc1nccn1-c1cccc([C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072379142 191141451 /nfs/dbraw/zinc/14/14/51/191141451.db2.gz UCFWEJOCIUJCGZ-KRWDZBQOSA-N 1 1 324.472 4.088 40 0 DIABMO CCC[N@H+]1C[C@H](CSC)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000003831296 181047839 /nfs/dbraw/zinc/04/78/39/181047839.db2.gz YEHCICAEULNIGD-SKDZVZGDSA-N 1 1 314.498 4.271 40 0 in-vitro DIABMO OCC[C@H]1CCCC[N@H+]1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000004777672 181151182 /nfs/dbraw/zinc/15/11/82/181151182.db2.gz INMDWRODOYMYGJ-RTWAWAEBSA-N 1 1 309.453 4.207 40 0 DIABMO CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000005492733 181249189 /nfs/dbraw/zinc/24/91/89/181249189.db2.gz MLTMAMPTDYDEJA-ILZDJORESA-N 1 1 311.469 4.076 40 0 DIABMO O[C@H](C[NH+]1CCCCC1)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000006524383 181349823 /nfs/dbraw/zinc/34/98/23/181349823.db2.gz VRUWHHYSJYBMSU-GFCCVEGCSA-N 1 1 308.636 4.166 40 0 DIABMO Cc1csc(-c2cc([C@@H]3CCCC[N@@H+]3C(C)C)nc(C)n2)n1 ZINC000257282314 203009525 /nfs/dbraw/zinc/00/95/25/203009525.db2.gz OTGKYQIAXSEPKD-INIZCTEOSA-N 1 1 316.474 4.152 40 0 DIABMO Cc1nc2cc(/[NH+]=c3/ccc4ccccc4n3C)ccc2s1 ZINC000018156041 182095259 /nfs/dbraw/zinc/09/52/59/182095259.db2.gz YEIKKJQQBIYSLL-ZZEZOPTASA-N 1 1 305.406 4.329 40 0 DIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2ccccn12 ZINC000019240680 182111522 /nfs/dbraw/zinc/11/15/22/182111522.db2.gz IUDHUCXNBOUHGX-KRWDZBQOSA-N 1 1 323.415 4.161 40 0 DIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2ccccn12 ZINC000019240679 182111920 /nfs/dbraw/zinc/11/19/20/182111920.db2.gz IUDHUCXNBOUHGX-QGZVFWFLSA-N 1 1 323.415 4.161 40 0 DIABMO Fc1cccc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019293836 182113595 /nfs/dbraw/zinc/11/35/95/182113595.db2.gz LMFJXEGIOGUMAO-INIZCTEOSA-N 1 1 309.388 4.082 40 0 DIABMO Cc1ccc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)s1 ZINC000019217211 182107928 /nfs/dbraw/zinc/10/79/28/182107928.db2.gz RKJZGRYLOZVOEU-HNNXBMFYSA-N 1 1 311.454 4.312 40 0 DIABMO Cc1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020045111 182183073 /nfs/dbraw/zinc/18/30/73/182183073.db2.gz OHEWXTSTIYHJFW-INIZCTEOSA-N 1 1 322.452 4.479 40 0 DIABMO CCN(CC)CC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000022076872 182308134 /nfs/dbraw/zinc/30/81/34/182308134.db2.gz WGELCJFKLSEXLK-UHFFFAOYSA-N 1 1 320.864 4.340 40 0 DIABMO C[N@H+]1[C@@H](c2ccccc2)[C@H]2CCC[C@H]([C@H]2O)[C@@H]1c1ccccc1 ZINC000100745668 193803925 /nfs/dbraw/zinc/80/39/25/193803925.db2.gz VOVYUVZGDORCCG-HGJUEJDCSA-N 1 1 307.437 4.192 40 0 DIABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000038833577 183010903 /nfs/dbraw/zinc/01/09/03/183010903.db2.gz GMWZMDJDKHMIGC-LJQANCHMSA-N 1 1 322.452 4.154 40 0 DIABMO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038835250 183011093 /nfs/dbraw/zinc/01/10/93/183011093.db2.gz XYTGMXVEBILDJI-LJQANCHMSA-N 1 1 322.452 4.100 40 0 DIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000038833436 183011547 /nfs/dbraw/zinc/01/15/47/183011547.db2.gz YCZKGUPXLOHIJY-UHFFFAOYSA-N 1 1 319.408 4.109 40 0 DIABMO CCCN(CCC)c1ccc(CNC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC000072224326 257123265 /nfs/dbraw/zinc/12/32/65/257123265.db2.gz ZYPIOIASCWXQKM-UHFFFAOYSA-N 1 1 321.465 4.041 40 0 DIABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218945 257123942 /nfs/dbraw/zinc/12/39/42/257123942.db2.gz WLCPRJDGRUXGOM-SFHVURJKSA-N 1 1 301.478 4.317 40 0 DIABMO Cc1cc([C@H]2CCCC[N@@H+]2CC(C)C)cnc1N1CCCC1 ZINC000072218823 257124011 /nfs/dbraw/zinc/12/40/11/257124011.db2.gz DPAKOYXLGLBLHL-GOSISDBHSA-N 1 1 301.478 4.173 40 0 DIABMO COc1ccc(OC)c([C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000072221892 257124409 /nfs/dbraw/zinc/12/44/09/257124409.db2.gz YSFKJVLQBPSICK-LJQANCHMSA-N 1 1 311.425 4.431 40 0 DIABMO Cc1nc(N2CCCC2)ccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072218943 257124429 /nfs/dbraw/zinc/12/44/29/257124429.db2.gz YTPFBLLRLMEPNK-GOSISDBHSA-N 1 1 301.478 4.173 40 0 DIABMO COc1ccc(OC)c([C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000072221891 257124596 /nfs/dbraw/zinc/12/45/96/257124596.db2.gz YSFKJVLQBPSICK-IBGZPJMESA-N 1 1 311.425 4.431 40 0 DIABMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N(C)C ZINC000072218646 257125256 /nfs/dbraw/zinc/12/52/56/257125256.db2.gz TUWXORDSYQVNFW-IBGZPJMESA-N 1 1 309.457 4.183 40 0 DIABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216708 257125316 /nfs/dbraw/zinc/12/53/16/257125316.db2.gz XDWSHOUFWJHGDI-SFHVURJKSA-N 1 1 301.478 4.399 40 0 DIABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213805 257125828 /nfs/dbraw/zinc/12/58/28/257125828.db2.gz FNFGSZGHMKSCRZ-IBGZPJMESA-N 1 1 307.441 4.383 40 0 DIABMO CC(C)CNc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213303 257126009 /nfs/dbraw/zinc/12/60/09/257126009.db2.gz NDTLPLUHICQJIR-IBGZPJMESA-N 1 1 309.457 4.487 40 0 DIABMO CC(C)CNc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213304 257126638 /nfs/dbraw/zinc/12/66/38/257126638.db2.gz NDTLPLUHICQJIR-LJQANCHMSA-N 1 1 309.457 4.487 40 0 DIABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212083 257126846 /nfs/dbraw/zinc/12/68/46/257126846.db2.gz TYVXZFGEZRCVSG-IBGZPJMESA-N 1 1 310.441 4.454 40 0 DIABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168930 560084924 /nfs/dbraw/zinc/08/49/24/560084924.db2.gz LRFXPJPPOXIFPU-AWEZNQCLSA-N 1 1 312.413 4.425 40 0 biogenic,in-vitro DIABMO O=C(/C=C/c1ccccc1)OCc1ccccc1C[N@@H+]1C=CCC1 ZINC000001716168 563293273 /nfs/dbraw/zinc/29/32/73/563293273.db2.gz PVNMMULREXJMLK-OUKQBFOZSA-N 1 1 319.404 4.163 40 0 DIABMO CC(C)[N@@H+](C)CCOC(=O)[C@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000001843241 563296322 /nfs/dbraw/zinc/29/63/22/563296322.db2.gz KAYIKQQQTHUULM-RBUKOAKNSA-N 1 1 315.457 4.010 40 0 DIABMO CC[C@@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100303 563516883 /nfs/dbraw/zinc/51/68/83/563516883.db2.gz JVUXNZYQENGYRY-YLJYHZDGSA-N 1 1 320.521 4.212 40 0 DIABMO Fc1ccc(C[N@H+](Cc2ccsc2)Cc2cccnc2)cc1 ZINC000013569154 563660197 /nfs/dbraw/zinc/66/01/97/563660197.db2.gz NXVZYARNZPXCLE-UHFFFAOYSA-N 1 1 312.413 4.485 40 0 DIABMO Fc1ccc(C[N@@H+](Cc2ccsc2)Cc2cccnc2)cc1 ZINC000013569154 563660200 /nfs/dbraw/zinc/66/02/00/563660200.db2.gz NXVZYARNZPXCLE-UHFFFAOYSA-N 1 1 312.413 4.485 40 0 DIABMO c1ccc(-c2nnc([C@H]3CC[N@H+](CC4CCCCC4)C3)o2)cc1 ZINC000049169304 563701001 /nfs/dbraw/zinc/70/10/01/563701001.db2.gz CNKAFHICRPYXHR-KRWDZBQOSA-N 1 1 311.429 4.106 40 0 biogenic,in-vitro DIABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)cc1Cl ZINC000225001799 563746212 /nfs/dbraw/zinc/74/62/12/563746212.db2.gz JPUNCLGNENVRLV-HNNXBMFYSA-N 1 1 322.880 4.033 40 0 DIABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccsc2)c2sccn12 ZINC000257237382 563791466 /nfs/dbraw/zinc/79/14/66/563791466.db2.gz HGFRXKNRDKKOLS-CQSZACIVSA-N 1 1 317.483 4.493 40 0 DIABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccsc2)c2sccn12 ZINC000257237382 563791471 /nfs/dbraw/zinc/79/14/71/563791471.db2.gz HGFRXKNRDKKOLS-CQSZACIVSA-N 1 1 317.483 4.493 40 0 DIABMO Cc1cnc(-c2cc([C@@H]3CCCC[N@@H+]3C(C)C)nc(C)n2)s1 ZINC000257324831 563792664 /nfs/dbraw/zinc/79/26/64/563792664.db2.gz WQJRXMMTIRLSQQ-INIZCTEOSA-N 1 1 316.474 4.152 40 0 DIABMO CC[C@H](C)Nc1cc(N2CCc3ccccc3C2)[nH+]c(C(C)C)n1 ZINC000328967228 563832604 /nfs/dbraw/zinc/83/26/04/563832604.db2.gz CRKHIRVOFVRMBR-HNNXBMFYSA-N 1 1 324.472 4.373 40 0 DIABMO CC[C@H](C)Nc1cc(N2CCc3ccccc3C2)nc(C2CC2)[nH+]1 ZINC000329010892 563833416 /nfs/dbraw/zinc/83/34/16/563833416.db2.gz MDBLHFDFXZJVOT-AWEZNQCLSA-N 1 1 322.456 4.127 40 0 DIABMO CC[C@H](C)Nc1cc(N2CCc3ccccc3C2)[nH+]c(C2CC2)n1 ZINC000329010892 563833417 /nfs/dbraw/zinc/83/34/17/563833417.db2.gz MDBLHFDFXZJVOT-AWEZNQCLSA-N 1 1 322.456 4.127 40 0 DIABMO CC[C@@H](C)Nc1cc(N2CCc3ccccc3C2)nc(C2CC2)[nH+]1 ZINC000329010894 563833554 /nfs/dbraw/zinc/83/35/54/563833554.db2.gz MDBLHFDFXZJVOT-CQSZACIVSA-N 1 1 322.456 4.127 40 0 DIABMO CC[C@@H](C)Nc1cc(N2CCc3ccccc3C2)[nH+]c(C2CC2)n1 ZINC000329010894 563833556 /nfs/dbraw/zinc/83/35/56/563833556.db2.gz MDBLHFDFXZJVOT-CQSZACIVSA-N 1 1 322.456 4.127 40 0 DIABMO CCC[N@H+]1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000027549753 563857080 /nfs/dbraw/zinc/85/70/80/563857080.db2.gz YEHCICAEULNIGD-QBIMZIAESA-N 1 1 314.498 4.271 40 0 in-vitro DIABMO CSc1ccc(C[N@H+](Cc2sccc2C)C[C@@H](C)O)cc1 ZINC000013991533 1041502423 /nfs/dbraw/zinc/50/24/23/1041502423.db2.gz SBHVDRLJWPVXSY-CQSZACIVSA-N 1 1 321.511 4.161 40 0 DIABMO Cc1ccc([C@H]([NH3+])c2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1 ZINC000095534166 185379259 /nfs/dbraw/zinc/37/92/59/185379259.db2.gz UDNZQGHCLQMZIX-KRWDZBQOSA-N 1 1 320.440 4.126 40 0 DIABMO C[N@@H+](Cc1c2cccnc2[nH]c1C(C)(C)C)Cc1ccccc1 ZINC000072393632 191150205 /nfs/dbraw/zinc/15/02/05/191150205.db2.gz SKTRQNRGDORSHB-UHFFFAOYSA-N 1 1 307.441 4.492 40 0 DIABMO C[C@@H]1CCCCN1[P@@H+](c1ccccc1)N1CCCC[C@@H]1C ZINC000005328660 181230290 /nfs/dbraw/zinc/23/02/90/181230290.db2.gz IXYQVEWDGLGTQK-QRTHJKPMSA-N 1 1 304.418 4.373 40 0 DIABMO CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000006355907 181333960 /nfs/dbraw/zinc/33/39/60/181333960.db2.gz ZOHVSEXZWRMRLF-ZJPYXAASSA-N 1 1 319.489 4.203 40 0 DIABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccn12 ZINC000019240669 182111630 /nfs/dbraw/zinc/11/16/30/182111630.db2.gz UYHZAKAZKBCEGR-QGZVFWFLSA-N 1 1 323.415 4.161 40 0 DIABMO Fc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c1 ZINC000019293932 182113402 /nfs/dbraw/zinc/11/34/02/182113402.db2.gz VWONYFDQGVRCSY-OAHLLOKOSA-N 1 1 318.442 4.417 40 0 DIABMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019496688 182125437 /nfs/dbraw/zinc/12/54/37/182125437.db2.gz RYNAYTUYWPFNAP-JJRVBVJISA-N 1 1 313.445 4.035 40 0 DIABMO C[N@@H+](Cc1ccccc1Cl)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019586535 182131842 /nfs/dbraw/zinc/13/18/42/182131842.db2.gz PKIVCDWEAXCPRL-FUHWJXTLSA-N 1 1 319.807 4.094 40 0 DIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)c3ccccc3)cc2)C1 ZINC000020105320 182186979 /nfs/dbraw/zinc/18/69/79/182186979.db2.gz JFWMKZIXNBXTTO-QGZVFWFLSA-N 1 1 322.452 4.195 40 0 DIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1 ZINC000038833499 183010867 /nfs/dbraw/zinc/01/08/67/183010867.db2.gz UNJGZLRXZUKZOL-UHFFFAOYSA-N 1 1 319.408 4.109 40 0 DIABMO Cc1nc(N2CCCCC2)ccc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072219284 257124293 /nfs/dbraw/zinc/12/42/93/257124293.db2.gz FSIJZPGHWNTXAP-GOSISDBHSA-N 1 1 301.478 4.173 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216645 257125280 /nfs/dbraw/zinc/12/52/80/257125280.db2.gz LNQWCARFVNGIPJ-GOSISDBHSA-N 1 1 301.478 4.255 40 0 DIABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216031 257125565 /nfs/dbraw/zinc/12/55/65/257125565.db2.gz XRFFUUNCGQGQEM-HXUWFJFHSA-N 1 1 321.468 4.409 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214381 257125837 /nfs/dbraw/zinc/12/58/37/257125837.db2.gz FGCXXWVYFFWQKM-OAHLLOKOSA-N 1 1 319.449 4.222 40 0 DIABMO CCN(CC)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212825 257127618 /nfs/dbraw/zinc/12/76/18/257127618.db2.gz BESZXTKJHZCWMJ-IBGZPJMESA-N 1 1 309.457 4.265 40 0 DIABMO COC(=O)c1ccc(Nc2cc[nH+]c3c(C)ccc(F)c23)cc1 ZINC000064874840 257128187 /nfs/dbraw/zinc/12/81/87/257128187.db2.gz CLNFTTWIIGLXIP-UHFFFAOYSA-N 1 1 310.328 4.213 40 0 DIABMO Cc1cc(CCCOCCCc2cc(C)[nH+]c(C)c2)cc(C)n1 ZINC000015782068 257215374 /nfs/dbraw/zinc/21/53/74/257215374.db2.gz IGWAQFSBBXHDCF-UHFFFAOYSA-N 1 1 312.457 4.292 40 0 DIABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)[C@H]1C ZINC000247883608 341370922 /nfs/dbraw/zinc/37/09/22/341370922.db2.gz RYNAYTUYWPFNAP-JKIFEVAISA-N 1 1 313.445 4.035 40 0 DIABMO c1nc([C@H]2CCC[N@@H+]2C2CCC2)c2ccc(-c3cccnc3)cn12 ZINC000306124632 534534675 /nfs/dbraw/zinc/53/46/75/534534675.db2.gz BVKQAXXOAIZESC-LJQANCHMSA-N 1 1 318.424 4.086 40 0 DIABMO COc1cccc(C[N@H+]2CC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000049168943 560084911 /nfs/dbraw/zinc/08/49/11/560084911.db2.gz JSSJNSQEFWGMKR-HNNXBMFYSA-N 1 1 324.449 4.294 40 0 biogenic,in-vitro DIABMO Cc1ccc2[nH+]c(-c3ccccc3O)c(NC3CCCC3)n2c1 ZINC000000904123 563272869 /nfs/dbraw/zinc/27/28/69/563272869.db2.gz KAMBPTQXOKEIAQ-UHFFFAOYSA-N 1 1 307.397 4.370 40 0 DIABMO CCC[N@@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656152 563289255 /nfs/dbraw/zinc/28/92/55/563289255.db2.gz ABZVEPNRBLRVIF-UHFFFAOYSA-N 1 1 315.461 4.023 40 0 DIABMO CC(=O)OC1C[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C1 ZINC000001719799 563293246 /nfs/dbraw/zinc/29/32/46/563293246.db2.gz OBNUWEBINMHPGX-IHWFROFDSA-N 1 1 309.409 4.126 40 0 DIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016201 563336037 /nfs/dbraw/zinc/33/60/37/563336037.db2.gz GTHTWTQDRSQZOE-INIZCTEOSA-N 1 1 308.425 4.171 40 0 DIABMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000031628051 563337218 /nfs/dbraw/zinc/33/72/18/563337218.db2.gz NZGPVVILHDQKBZ-SFHVURJKSA-N 1 1 303.833 4.284 40 0 DIABMO C[N@@H+](Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccccc1 ZINC000012222446 563364652 /nfs/dbraw/zinc/36/46/52/563364652.db2.gz FFJZKTSKAWGPLU-UHFFFAOYSA-N 1 1 317.392 4.455 40 0 DIABMO COc1ccccc1-c1ccccc1C[N@@H+](C)Cc1cc(C)n[nH]1 ZINC000036752893 563457372 /nfs/dbraw/zinc/45/73/72/563457372.db2.gz TVGRGEXIPXUVIW-UHFFFAOYSA-N 1 1 321.424 4.026 40 0 DIABMO Nc1cc(Nc2ccc(Oc3ccccc3)cc2)[nH+]c(C2CC2)n1 ZINC000049467634 563467707 /nfs/dbraw/zinc/46/77/07/563467707.db2.gz GHEPZHGUNWOVJO-UHFFFAOYSA-N 1 1 318.380 4.472 40 0 DIABMO Cc1cc(NCC[NH3+])c2cccc(Sc3ccccc3)c2n1 ZINC000222692432 563727254 /nfs/dbraw/zinc/72/72/54/563727254.db2.gz VBEBMWBICGVNSL-UHFFFAOYSA-N 1 1 309.438 4.065 40 0 DIABMO C[N@@H+](CCc1ccc2c(Cl)ccc(O)c2n1)C1CCCCC1 ZINC000059474706 563771541 /nfs/dbraw/zinc/77/15/41/563771541.db2.gz GQXCVQDVFCZAAF-UHFFFAOYSA-N 1 1 318.848 4.401 40 0 DIABMO Cc1ccccc1-c1noc([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257230554 563791750 /nfs/dbraw/zinc/79/17/50/563791750.db2.gz GCVRIYAOYMYQMO-KRWDZBQOSA-N 1 1 319.408 4.035 40 0 DIABMO Cc1nc(NC2CCCC2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000329063835 563833536 /nfs/dbraw/zinc/83/35/36/563833536.db2.gz XFPGWXVXHKCUHP-AWEZNQCLSA-N 1 1 322.456 4.091 40 0 DIABMO N=C(N=O)C1=CC[N@H+](C(c2ccccc2)c2ccccc2)C=C1 ZINC000038185653 563923070 /nfs/dbraw/zinc/92/30/70/563923070.db2.gz PMIJNVDDQZYSGK-UHFFFAOYSA-N 1 1 303.365 4.056 40 0 DIABMO N=C(Nc1ccc(Cl)cc1)C(=[NH2+])Nc1ccc(Cl)cc1 ZINC000255190598 568417121 /nfs/dbraw/zinc/41/71/21/568417121.db2.gz YFUIRNKWCLPZAP-UHFFFAOYSA-N 1 1 307.184 4.472 40 0 DIABMO CCC[N@@H+](CCc1cccs1)C1CCc2c(O)cccc2C1 ZINC001560407647 1060192847 /nfs/dbraw/zinc/19/28/47/1060192847.db2.gz XXEYVQXGKYTPJL-UHFFFAOYSA-N 1 1 314.474 4.429 40 0 DIABMO Cc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1 ZINC000095534167 185379398 /nfs/dbraw/zinc/37/93/98/185379398.db2.gz UDNZQGHCLQMZIX-QGZVFWFLSA-N 1 1 320.440 4.126 40 0 DIABMO Cc1ccccc1CN(Cc1ccccc1C)C[C@H]1CCC[NH2+]C1 ZINC000072204002 191076322 /nfs/dbraw/zinc/07/63/22/191076322.db2.gz ZAUGVVOWBOGFRT-FQEVSTJZSA-N 1 1 322.496 4.305 40 0 DIABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccccc1)C2 ZINC000000968360 180837819 /nfs/dbraw/zinc/83/78/19/180837819.db2.gz GIJXKZJWITVLHI-YOFSQIOKSA-N 1 1 307.437 4.418 40 0 in-vitro DIABMO CCC[C@H](C(=O)OCC[N@H+]1C[C@H](C)CC1(C)C)C1CCCC1 ZINC000004411185 181107434 /nfs/dbraw/zinc/10/74/34/181107434.db2.gz SDCSZRGNRKNQRO-WBVHZDCISA-N 1 1 309.494 4.257 40 0 DIABMO CC(C)[N@H+]1CC[C@@H](CC(O)(c2ccccc2)c2ccccc2)C1 ZINC000004537370 181121264 /nfs/dbraw/zinc/12/12/64/181121264.db2.gz MBVRSTMYIZMMCP-SFHVURJKSA-N 1 1 309.453 4.043 40 0 DIABMO C[C@H]1[C@H](C(O)(c2ccccc2)c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000004742967 181145949 /nfs/dbraw/zinc/14/59/49/181145949.db2.gz NRUYMSXTSXGBII-LKZDHZESSA-N 1 1 321.464 4.328 40 0 DIABMO C[C@H]1[C@H](C(O)(c2ccccc2)c2ccccc2)[N@H+]1C1CCCCC1 ZINC000004742967 181145951 /nfs/dbraw/zinc/14/59/51/181145951.db2.gz NRUYMSXTSXGBII-LKZDHZESSA-N 1 1 321.464 4.328 40 0 DIABMO C[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000004742969 181146305 /nfs/dbraw/zinc/14/63/05/181146305.db2.gz NRUYMSXTSXGBII-AFCKPWEZSA-N 1 1 321.464 4.328 40 0 DIABMO C[C@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)[N@H+]1C1CCCCC1 ZINC000004742969 181146307 /nfs/dbraw/zinc/14/63/07/181146307.db2.gz NRUYMSXTSXGBII-AFCKPWEZSA-N 1 1 321.464 4.328 40 0 DIABMO CN(C)CCC[NH+]1C[C@@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000004946262 181177660 /nfs/dbraw/zinc/17/76/60/181177660.db2.gz BTJLGJXSCRPCIT-TUFLPTIASA-N 1 1 316.533 4.177 40 0 DIABMO CC[C@H](OC[C@@H](O)C[N@@H+](CC)C1CCCCC1)c1ccccc1 ZINC000006355961 181333857 /nfs/dbraw/zinc/33/38/57/181333857.db2.gz DWZLRCJCECLENB-PMACEKPBSA-N 1 1 319.489 4.170 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257276966 203005599 /nfs/dbraw/zinc/00/55/99/203005599.db2.gz NVXDFXCKJJEGTD-MRXNPFEDSA-N 1 1 316.420 4.240 40 0 DIABMO Cc1ccsc1C[N@H+]1CCCC[C@H]1c1ncn2ccsc12 ZINC000257340914 203062998 /nfs/dbraw/zinc/06/29/98/203062998.db2.gz ZIBUYDFPSPXUGZ-ZDUSSCGKSA-N 1 1 317.483 4.493 40 0 DIABMO CC(=O)OCCC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000016954972 182065825 /nfs/dbraw/zinc/06/58/25/182065825.db2.gz GPAXMNGNOCBZMH-LLVKDONJSA-N 1 1 306.793 4.032 40 0 DIABMO C[C@@H]1CCCN([P@@H+](c2ccccc2)N2CCC[C@H](C)C2)C1 ZINC000017023703 182068360 /nfs/dbraw/zinc/06/83/60/182068360.db2.gz RTEVWEPQWAUGNR-QRTHJKPMSA-N 1 1 304.418 4.088 40 0 DIABMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019349017 182117946 /nfs/dbraw/zinc/11/79/46/182117946.db2.gz ZLEOOIZNIZLEQH-MRXNPFEDSA-N 1 1 309.388 4.082 40 0 DIABMO Cn1ccc([C@H]2CCCCC[N@H+]2Cc2ccnc3ccccc23)n1 ZINC000019291101 182113882 /nfs/dbraw/zinc/11/38/82/182113882.db2.gz BKTMPMFMIUSJOI-HXUWFJFHSA-N 1 1 320.440 4.086 40 0 DIABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)c3ccccc3)cc2)C1 ZINC000020105321 182186476 /nfs/dbraw/zinc/18/64/76/182186476.db2.gz JFWMKZIXNBXTTO-KRWDZBQOSA-N 1 1 322.452 4.195 40 0 DIABMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000038833325 183011024 /nfs/dbraw/zinc/01/10/24/183011024.db2.gz WGMALTLQSNSRMZ-LJQANCHMSA-N 1 1 322.452 4.154 40 0 DIABMO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1cccc2ncccc12 ZINC000057811536 184055302 /nfs/dbraw/zinc/05/53/02/184055302.db2.gz VSYDJKPURFLOJA-UHFFFAOYSA-N 1 1 322.456 4.261 40 0 DIABMO Cc1nc(N2CCCC2)ccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072218942 257124458 /nfs/dbraw/zinc/12/44/58/257124458.db2.gz YTPFBLLRLMEPNK-SFHVURJKSA-N 1 1 301.478 4.173 40 0 DIABMO Cc1cc([C@H]2CCC[N@@H+]2CC(C)C)cnc1N1CCCCC1 ZINC000072219164 257124544 /nfs/dbraw/zinc/12/45/44/257124544.db2.gz VXJZUISPKOQRPL-GOSISDBHSA-N 1 1 301.478 4.173 40 0 DIABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216646 257125427 /nfs/dbraw/zinc/12/54/27/257125427.db2.gz LNQWCARFVNGIPJ-SFHVURJKSA-N 1 1 301.478 4.255 40 0 DIABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214397 257126184 /nfs/dbraw/zinc/12/61/84/257126184.db2.gz GUEJEBAKBFDSMD-HNNXBMFYSA-N 1 1 319.449 4.366 40 0 DIABMO CCN(C)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212802 257127144 /nfs/dbraw/zinc/12/71/44/257127144.db2.gz AXHJWLDWGDEWNG-IBGZPJMESA-N 1 1 309.457 4.265 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212082 257127236 /nfs/dbraw/zinc/12/72/36/257127236.db2.gz TYVXZFGEZRCVSG-LJQANCHMSA-N 1 1 310.441 4.454 40 0 DIABMO Brc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211601 257127394 /nfs/dbraw/zinc/12/73/94/257127394.db2.gz MXEXISDTVUUKCH-HNNXBMFYSA-N 1 1 317.230 4.181 40 0 DIABMO Brc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211601 257127395 /nfs/dbraw/zinc/12/73/95/257127395.db2.gz MXEXISDTVUUKCH-HNNXBMFYSA-N 1 1 317.230 4.181 40 0 DIABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212023 257127418 /nfs/dbraw/zinc/12/74/18/257127418.db2.gz IIFRNFPXBLFDHX-IBGZPJMESA-N 1 1 310.441 4.454 40 0 DIABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1F ZINC000049168867 560084834 /nfs/dbraw/zinc/08/48/34/560084834.db2.gz JICXHQCRCLRPJJ-ZDUSSCGKSA-N 1 1 314.335 4.096 40 0 biogenic,in-vitro DIABMO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](C[C@@H]1CCCN3CCCC[C@H]13)C2 ZINC000001280572 563280706 /nfs/dbraw/zinc/28/07/06/563280706.db2.gz BMRXTFOKVYWSJF-GNBUJSLZSA-N 1 1 304.522 4.152 40 0 DIABMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](C[C@@H]1CCCN3CCCC[C@H]13)C2 ZINC000001280572 563280708 /nfs/dbraw/zinc/28/07/08/563280708.db2.gz BMRXTFOKVYWSJF-GNBUJSLZSA-N 1 1 304.522 4.152 40 0 DIABMO Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000001609261 563287364 /nfs/dbraw/zinc/28/73/64/563287364.db2.gz AQEULMJKGLWMDF-UHFFFAOYSA-N 1 1 320.783 4.323 40 0 DIABMO CC(C)[N@H+]1CC[C@H](CC(O)(c2ccccc2)c2ccccc2)C1 ZINC000001628103 563288816 /nfs/dbraw/zinc/28/88/16/563288816.db2.gz MBVRSTMYIZMMCP-GOSISDBHSA-N 1 1 309.453 4.043 40 0 DIABMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CC(=O)c1ccccc1 ZINC000001716181 563293105 /nfs/dbraw/zinc/29/31/05/563293105.db2.gz NTDITIGBWSJJEV-KRWDZBQOSA-N 1 1 307.437 4.486 40 0 DIABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccc(C(C)C)cc1 ZINC000013265238 563380183 /nfs/dbraw/zinc/38/01/83/563380183.db2.gz WHHLKJUYMQCJMR-FXAWDEMLSA-N 1 1 307.441 4.170 40 0 DIABMO Cc1c(Cl)ccc([C@@H](O)C[N@H+](C)Cc2ccccc2)c1Cl ZINC000031912240 563441140 /nfs/dbraw/zinc/44/11/40/563441140.db2.gz NTIUTEYRJPOJNH-INIZCTEOSA-N 1 1 324.251 4.467 40 0 DIABMO Cc1c(Cl)ccc([C@H](O)C[N@H+](C)Cc2ccccc2)c1Cl ZINC000031912236 563441387 /nfs/dbraw/zinc/44/13/87/563441387.db2.gz NTIUTEYRJPOJNH-MRXNPFEDSA-N 1 1 324.251 4.467 40 0 DIABMO CN(C)c1ccc(-c2[nH+]c3ccccn3c2NC2CCCC2)cc1 ZINC000000417910 563608927 /nfs/dbraw/zinc/60/89/27/563608927.db2.gz GPFBQDICZNKCCR-UHFFFAOYSA-N 1 1 320.440 4.422 40 0 DIABMO COc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)cc1 ZINC000013569709 563660519 /nfs/dbraw/zinc/66/05/19/563660519.db2.gz KQJFMZUKRWWEFV-UHFFFAOYSA-N 1 1 324.449 4.354 40 0 DIABMO COc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)cc1 ZINC000013569709 563660521 /nfs/dbraw/zinc/66/05/21/563660521.db2.gz KQJFMZUKRWWEFV-UHFFFAOYSA-N 1 1 324.449 4.354 40 0 DIABMO Cc1ccc(N(CC(=O)c2ccccc2)C2=[NH+]CCCC2)cc1 ZINC000008411761 563722230 /nfs/dbraw/zinc/72/22/30/563722230.db2.gz WKUWHWLVSUTURQ-UHFFFAOYSA-N 1 1 306.409 4.267 40 0 DIABMO CC(C)[N@H+]1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257202752 563790125 /nfs/dbraw/zinc/79/01/25/563790125.db2.gz ANGKOQKVCZMWDR-MRXNPFEDSA-N 1 1 304.821 4.464 40 0 DIABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C)n1 ZINC000329044255 563833407 /nfs/dbraw/zinc/83/34/07/563833407.db2.gz SVTBXYWRCHGNBL-AWEZNQCLSA-N 1 1 324.472 4.293 40 0 DIABMO C[C@@H]1Cc2ccccc2CN1c1cc[nH+]c(NC2CCCCC2)n1 ZINC000329010872 563833474 /nfs/dbraw/zinc/83/34/74/563833474.db2.gz MCWCORSLKCKAAR-OAHLLOKOSA-N 1 1 322.456 4.172 40 0 DIABMO CCNc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C(C)C)n1 ZINC000329041401 563833572 /nfs/dbraw/zinc/83/35/72/563833572.db2.gz SJHBXMHJFXFTQO-UHFFFAOYSA-N 1 1 324.472 4.373 40 0 DIABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C)n1 ZINC000329033793 563833846 /nfs/dbraw/zinc/83/38/46/563833846.db2.gz QWDSHZLYVASFEU-AWEZNQCLSA-N 1 1 324.472 4.337 40 0 DIABMO Clc1ccc2oc([C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000035442900 563867207 /nfs/dbraw/zinc/86/72/07/563867207.db2.gz NACRNZGTZKVXLQ-AWEZNQCLSA-N 1 1 312.800 4.471 40 0 biogenic,in-vitro DIABMO CCC[N@H+]1C[C@H](CSC)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000008830624 563950964 /nfs/dbraw/zinc/95/09/64/563950964.db2.gz YEHCICAEULNIGD-RPVQJOFSSA-N 1 1 314.498 4.271 40 0 in-vitro DIABMO CCc1ccc(C[N@H+](Cc2sccc2C)C[C@H](C)O)cc1 ZINC000013991370 1041502623 /nfs/dbraw/zinc/50/26/23/1041502623.db2.gz YTLUXBFFPHILTM-HNNXBMFYSA-N 1 1 303.471 4.002 40 0 DIABMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000004902409 1047626345 /nfs/dbraw/zinc/62/63/45/1047626345.db2.gz CQUBGBZSMXDPTM-MRXNPFEDSA-N 1 1 324.424 4.149 40 0 DIABMO O[C@@H]1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC001547139797 1058238023 /nfs/dbraw/zinc/23/80/23/1058238023.db2.gz ASUIJTQOWIPBJV-KJJMTIBFSA-N 1 1 321.464 4.206 40 0 DIABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3CC3CC3)n2)s1 ZINC000072375232 191139448 /nfs/dbraw/zinc/13/94/48/191139448.db2.gz GEGBCGDVTKOOLR-OAHLLOKOSA-N 1 1 314.458 4.137 40 0 DIABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369821 191139810 /nfs/dbraw/zinc/13/98/10/191139810.db2.gz LHBXKGCRNQVEMI-SFHVURJKSA-N 1 1 319.408 4.035 40 0 DIABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c3cccnc3[nH]c2C(F)(F)F)C1 ZINC000072393363 191148791 /nfs/dbraw/zinc/14/87/91/191148791.db2.gz DPNZUHQWLYTKES-PHIMTYICSA-N 1 1 311.351 4.060 40 0 DIABMO C(CCCCCN1CCOCC1)CCCCC[NH+]1CCCCC1 ZINC000004428721 181108874 /nfs/dbraw/zinc/10/88/74/181108874.db2.gz GXFVROAFTQHKOO-UHFFFAOYSA-N 1 1 324.553 4.315 40 0 DIABMO CC[N@@H+]1CC=C(c2nc3ccc(Br)cc3s2)CC1 ZINC000073638879 191333694 /nfs/dbraw/zinc/33/36/94/191333694.db2.gz GQLDKHSOPNEADO-UHFFFAOYSA-N 1 1 323.259 4.168 40 0 DIABMO O=C(c1ccccc1)[C@@H]1C[N@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000005412044 181240192 /nfs/dbraw/zinc/24/01/92/181240192.db2.gz DYOADTOJACZXAL-UXHICEINSA-N 1 1 305.421 4.485 40 0 DIABMO Cc1cc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)ccc1C(C)C ZINC000006008658 181305411 /nfs/dbraw/zinc/30/54/11/181305411.db2.gz RHJQCYHOOZGEOK-SFHVURJKSA-N 1 1 319.489 4.123 40 0 DIABMO O[C@H]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951715 193456265 /nfs/dbraw/zinc/45/62/65/193456265.db2.gz ASUIJTQOWIPBJV-YUMYIRISSA-N 1 1 321.464 4.206 40 0 DIABMO Fc1cccc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019293835 182113562 /nfs/dbraw/zinc/11/35/62/182113562.db2.gz LMFJXEGIOGUMAO-MRXNPFEDSA-N 1 1 309.388 4.082 40 0 DIABMO Cc1cc(C[N@@H+](C)Cc2cccc(-c3ccc(F)cc3)c2)[nH]n1 ZINC000019658534 182135511 /nfs/dbraw/zinc/13/55/11/182135511.db2.gz GBBCGOPABYYZDL-UHFFFAOYSA-N 1 1 309.388 4.156 40 0 DIABMO Cc1cc(C[N@H+](C)Cc2cccc(-c3ccc(F)cc3)c2)[nH]n1 ZINC000019658534 182135512 /nfs/dbraw/zinc/13/55/12/182135512.db2.gz GBBCGOPABYYZDL-UHFFFAOYSA-N 1 1 309.388 4.156 40 0 DIABMO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038833639 183010879 /nfs/dbraw/zinc/01/08/79/183010879.db2.gz XDOJTDOJYPRKJL-IBGZPJMESA-N 1 1 322.452 4.100 40 0 DIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000038833564 183011400 /nfs/dbraw/zinc/01/14/00/183011400.db2.gz QZVVSSSUCQJICV-UHFFFAOYSA-N 1 1 319.408 4.109 40 0 DIABMO C[N@@H+]1CC=C([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000065743350 184378512 /nfs/dbraw/zinc/37/85/12/184378512.db2.gz CAQVAQIJQYJEND-LJQANCHMSA-N 1 1 324.855 4.227 40 0 in-vitro DIABMO CCCC[N@H+]1CCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219226 257124317 /nfs/dbraw/zinc/12/43/17/257124317.db2.gz NHKYDWRJVUCWEX-SFHVURJKSA-N 1 1 301.478 4.317 40 0 DIABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219225 257124350 /nfs/dbraw/zinc/12/43/50/257124350.db2.gz NHKYDWRJVUCWEX-GOSISDBHSA-N 1 1 301.478 4.317 40 0 DIABMO Cc1cc([C@@H]2CCC[N@@H+]2CC(C)C)cnc1N1CCCCC1 ZINC000072219163 257124368 /nfs/dbraw/zinc/12/43/68/257124368.db2.gz VXJZUISPKOQRPL-SFHVURJKSA-N 1 1 301.478 4.173 40 0 DIABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216126 257124695 /nfs/dbraw/zinc/12/46/95/257124695.db2.gz QHQSVDNWQVMUKM-GOSISDBHSA-N 1 1 301.478 4.399 40 0 DIABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215949 257124739 /nfs/dbraw/zinc/12/47/39/257124739.db2.gz GTWVOMKEKDIKRC-FQEVSTJZSA-N 1 1 321.468 4.409 40 0 DIABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216648 257125192 /nfs/dbraw/zinc/12/51/92/257125192.db2.gz JRBULOBJZDXWEY-SFHVURJKSA-N 1 1 301.478 4.399 40 0 DIABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215948 257125393 /nfs/dbraw/zinc/12/53/93/257125393.db2.gz GTWVOMKEKDIKRC-HXUWFJFHSA-N 1 1 321.468 4.409 40 0 DIABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216660 257125603 /nfs/dbraw/zinc/12/56/03/257125603.db2.gz BVIVSVFVKBXAJL-GOSISDBHSA-N 1 1 301.478 4.399 40 0 DIABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214384 257125840 /nfs/dbraw/zinc/12/58/40/257125840.db2.gz HIZLMJDTWYQTLB-HNNXBMFYSA-N 1 1 319.449 4.366 40 0 DIABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214382 257126174 /nfs/dbraw/zinc/12/61/74/257126174.db2.gz FGCXXWVYFFWQKM-HNNXBMFYSA-N 1 1 319.449 4.222 40 0 DIABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214338 257126395 /nfs/dbraw/zinc/12/63/95/257126395.db2.gz SYWXQAFQJAWZAY-OAHLLOKOSA-N 1 1 319.449 4.364 40 0 DIABMO CCN(C)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212743 257127228 /nfs/dbraw/zinc/12/72/28/257127228.db2.gz YRULCNPQPIMKLV-LJQANCHMSA-N 1 1 309.457 4.265 40 0 DIABMO CCN(CC)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212826 257127472 /nfs/dbraw/zinc/12/74/72/257127472.db2.gz BESZXTKJHZCWMJ-LJQANCHMSA-N 1 1 309.457 4.265 40 0 DIABMO C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@H]1C ZINC000247883613 341370895 /nfs/dbraw/zinc/37/08/95/341370895.db2.gz RYNAYTUYWPFNAP-ZQIUZPCESA-N 1 1 313.445 4.035 40 0 DIABMO O[C@@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc2ccccc2c1 ZINC000001615870 563287870 /nfs/dbraw/zinc/28/78/70/563287870.db2.gz UPUJHZQDODIIMR-FIKGOQFSSA-N 1 1 309.453 4.385 40 0 DIABMO O[C@H](c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000001754495 563294949 /nfs/dbraw/zinc/29/49/49/563294949.db2.gz BVEXGQHOBZRFGZ-CCDCCJRHSA-N 1 1 307.437 4.478 40 0 DIABMO O[C@H](c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@H+]1C1CCCCC1 ZINC000001754495 563294956 /nfs/dbraw/zinc/29/49/56/563294956.db2.gz BVEXGQHOBZRFGZ-CCDCCJRHSA-N 1 1 307.437 4.478 40 0 DIABMO Fc1cccc(C[N@@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)c1F ZINC000012234087 563364687 /nfs/dbraw/zinc/36/46/87/563364687.db2.gz RYAFKNKRHGIZSS-INIZCTEOSA-N 1 1 313.351 4.178 40 0 DIABMO Fc1cccc(C[N@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)c1F ZINC000012234087 563364690 /nfs/dbraw/zinc/36/46/90/563364690.db2.gz RYAFKNKRHGIZSS-INIZCTEOSA-N 1 1 313.351 4.178 40 0 DIABMO Clc1ccc(C2(C[N@@H+](Cc3ccccn3)C3CC3)CC2)cc1 ZINC000012364465 563366994 /nfs/dbraw/zinc/36/69/94/563366994.db2.gz WBGDPJCBSJZLNE-UHFFFAOYSA-N 1 1 312.844 4.431 40 0 DIABMO O=C1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951713 563531259 /nfs/dbraw/zinc/53/12/59/563531259.db2.gz NVSZUEYKAZDGCT-SFHLNBCPSA-N 1 1 305.421 4.024 40 0 biogenic DIABMO O=C1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951706 563531316 /nfs/dbraw/zinc/53/13/16/563531316.db2.gz KRJQERWTNABLPQ-RZUBCFFCSA-N 1 1 319.448 4.414 40 0 biogenic DIABMO CC(C)c1cc(C[NH+]2[C@@H](C)COC[C@@H]2C)cc(C(C)C)c1O ZINC000031648040 563644906 /nfs/dbraw/zinc/64/49/06/563644906.db2.gz CABIFKLIZMZVIX-GJZGRUSLSA-N 1 1 305.462 4.248 40 0 DIABMO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@@H+]1CCC[C@@H](C)C1 ZINC000216866605 563712314 /nfs/dbraw/zinc/71/23/14/563712314.db2.gz FEVPBAIAYZMUKA-CQSZACIVSA-N 1 1 323.440 4.066 40 0 DIABMO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@H+]1CCC[C@@H](C)C1 ZINC000216866605 563712315 /nfs/dbraw/zinc/71/23/15/563712315.db2.gz FEVPBAIAYZMUKA-CQSZACIVSA-N 1 1 323.440 4.066 40 0 DIABMO Cc1cccc(N(CC(=O)c2ccccc2)C2=[NH+]CCCC2)c1 ZINC000008414598 563722176 /nfs/dbraw/zinc/72/21/76/563722176.db2.gz ONHOEKBVLKQLII-UHFFFAOYSA-N 1 1 306.409 4.267 40 0 DIABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C)cc1Cl ZINC000225001764 563746201 /nfs/dbraw/zinc/74/62/01/563746201.db2.gz JPUNCLGNENVRLV-OAHLLOKOSA-N 1 1 322.880 4.033 40 0 DIABMO CC1(C)CN(c2cc[nH+]c(NC3CCCC3)n2)Cc2ccccc21 ZINC000329018006 563833395 /nfs/dbraw/zinc/83/33/95/563833395.db2.gz NORLEAHNFKEGDC-UHFFFAOYSA-N 1 1 322.456 4.129 40 0 DIABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C)n1 ZINC000329033798 563833425 /nfs/dbraw/zinc/83/34/25/563833425.db2.gz QWDSHZLYVASFEU-CQSZACIVSA-N 1 1 324.472 4.337 40 0 DIABMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000000251120 563878664 /nfs/dbraw/zinc/87/86/64/563878664.db2.gz CQUBGBZSMXDPTM-INIZCTEOSA-N 1 1 324.424 4.149 40 0 DIABMO Cc1ccc(C[N@@H+]2CC=C(c3nc4ccccc4o3)CC2)cc1 ZINC000226251136 563913290 /nfs/dbraw/zinc/91/32/90/563913290.db2.gz FGCOLLOUEVFJAO-UHFFFAOYSA-N 1 1 304.393 4.426 40 0 DIABMO CC(C)(C)C[N@@H+]1CCO[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019692874 563922767 /nfs/dbraw/zinc/92/27/67/563922767.db2.gz WYCXXFOEMVHGKI-HXUWFJFHSA-N 1 1 324.468 4.092 40 0 DIABMO CC(C)(C)C[N@H+]1CCO[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019692874 563922768 /nfs/dbraw/zinc/92/27/68/563922768.db2.gz WYCXXFOEMVHGKI-HXUWFJFHSA-N 1 1 324.468 4.092 40 0 DIABMO CCCCCC[C@@H](C(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000299817310 1041826415 /nfs/dbraw/zinc/82/64/15/1041826415.db2.gz SUZXRHPREJMNOG-INIZCTEOSA-N 1 1 317.429 4.033 40 0 in-vitro DIABMO FC(F)(F)c1ccc(Br)c(C[NH+]2CCCC2)c1 ZINC000090413623 185295160 /nfs/dbraw/zinc/29/51/60/185295160.db2.gz XLZKDXIFNKDNNO-UHFFFAOYSA-N 1 1 308.141 4.064 40 0 DIABMO CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1Br ZINC000090413701 185295173 /nfs/dbraw/zinc/29/51/73/185295173.db2.gz WSSUBYRJLHGPDZ-UHFFFAOYSA-N 1 1 310.157 4.310 40 0 DIABMO Cc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369824 191139221 /nfs/dbraw/zinc/13/92/21/191139221.db2.gz DFHAPSPYMYCGNI-GOSISDBHSA-N 1 1 319.408 4.035 40 0 DIABMO CCCCN(C(=O)/C=C/c1ccccc1)C1=C[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000005019613 181191895 /nfs/dbraw/zinc/19/18/95/181191895.db2.gz JIKAVSKPMLXRKC-HEBLUMGWSA-N 1 1 324.468 4.079 40 0 DIABMO O[C@H](c1ccccc1)[C@H]1[C@H](c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000005105133 181203893 /nfs/dbraw/zinc/20/38/93/181203893.db2.gz BVEXGQHOBZRFGZ-DJQAVYROSA-N 1 1 307.437 4.478 40 0 DIABMO O[C@H](c1ccccc1)[C@H]1[C@H](c2ccccc2)[N@H+]1C1CCCCC1 ZINC000005105133 181203894 /nfs/dbraw/zinc/20/38/94/181203894.db2.gz BVEXGQHOBZRFGZ-DJQAVYROSA-N 1 1 307.437 4.478 40 0 DIABMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CC(=O)c1ccccc1 ZINC000005187339 181215049 /nfs/dbraw/zinc/21/50/49/181215049.db2.gz NTDITIGBWSJJEV-QGZVFWFLSA-N 1 1 307.437 4.486 40 0 DIABMO Cc1csc(-c2cc([C@H]3CCCC[N@@H+]3C(C)C)nc(C)n2)n1 ZINC000257282315 203010478 /nfs/dbraw/zinc/01/04/78/203010478.db2.gz OTGKYQIAXSEPKD-MRXNPFEDSA-N 1 1 316.474 4.152 40 0 DIABMO CC(C)(C)c1noc([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000019084649 182104719 /nfs/dbraw/zinc/10/47/19/182104719.db2.gz UFJKMROZPHQMIK-ZDUSSCGKSA-N 1 1 319.836 4.010 40 0 DIABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccc(F)c2F)on1 ZINC000019120307 182105252 /nfs/dbraw/zinc/10/52/52/182105252.db2.gz IAPXEWNQOPXQJD-OAHLLOKOSA-N 1 1 306.356 4.379 40 0 DIABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cccc(F)c2F)on1 ZINC000019120307 182105254 /nfs/dbraw/zinc/10/52/54/182105254.db2.gz IAPXEWNQOPXQJD-OAHLLOKOSA-N 1 1 306.356 4.379 40 0 DIABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(F)c(F)c2)on1 ZINC000019120238 182105372 /nfs/dbraw/zinc/10/53/72/182105372.db2.gz XBERGOHEPPTHOU-INIZCTEOSA-N 1 1 306.356 4.379 40 0 DIABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccc(F)c(F)c2)on1 ZINC000019120238 182105374 /nfs/dbraw/zinc/10/53/74/182105374.db2.gz XBERGOHEPPTHOU-INIZCTEOSA-N 1 1 306.356 4.379 40 0 DIABMO Fc1ccccc1C[N@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019349019 182117882 /nfs/dbraw/zinc/11/78/82/182117882.db2.gz ZLEOOIZNIZLEQH-INIZCTEOSA-N 1 1 309.388 4.082 40 0 DIABMO Cc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038833259 183011001 /nfs/dbraw/zinc/01/10/01/183011001.db2.gz MYIBXJLOBUAZST-QGZVFWFLSA-N 1 1 322.452 4.479 40 0 DIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000038833625 183011071 /nfs/dbraw/zinc/01/10/71/183011071.db2.gz MGNLSBHFEFXMQR-UHFFFAOYSA-N 1 1 319.408 4.109 40 0 DIABMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000038835171 183011580 /nfs/dbraw/zinc/01/15/80/183011580.db2.gz ASNPWLLFRKXZOX-IBGZPJMESA-N 1 1 322.452 4.154 40 0 DIABMO Cc1cc(NCc2ccccc2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223372 257123176 /nfs/dbraw/zinc/12/31/76/257123176.db2.gz KEIMLVXMOAJWBU-HXUWFJFHSA-N 1 1 304.393 4.084 40 0 DIABMO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072219240 257124306 /nfs/dbraw/zinc/12/43/06/257124306.db2.gz NHHDBMBUGRQQRB-SFHVURJKSA-N 1 1 301.478 4.316 40 0 DIABMO Cc1nc(N2CCCCC2)ccc1[C@H]1CCCC[N@@H+]1C(C)C ZINC000072219301 257124468 /nfs/dbraw/zinc/12/44/68/257124468.db2.gz PIAYGVBUVGGYOJ-GOSISDBHSA-N 1 1 301.478 4.316 40 0 DIABMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)cnc1N(C)C ZINC000072218647 257125046 /nfs/dbraw/zinc/12/50/46/257125046.db2.gz TUWXORDSYQVNFW-LJQANCHMSA-N 1 1 309.457 4.183 40 0 DIABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216707 257125103 /nfs/dbraw/zinc/12/51/03/257125103.db2.gz XDWSHOUFWJHGDI-GOSISDBHSA-N 1 1 301.478 4.399 40 0 DIABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2N2CCCC2)cc1 ZINC000072215972 257125106 /nfs/dbraw/zinc/12/51/06/257125106.db2.gz XADLMMXPZFBVHA-IBGZPJMESA-N 1 1 307.441 4.019 40 0 DIABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216032 257125158 /nfs/dbraw/zinc/12/51/58/257125158.db2.gz XRFFUUNCGQGQEM-FQEVSTJZSA-N 1 1 321.468 4.409 40 0 DIABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216661 257125184 /nfs/dbraw/zinc/12/51/84/257125184.db2.gz BVIVSVFVKBXAJL-SFHVURJKSA-N 1 1 301.478 4.399 40 0 DIABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216067 257125352 /nfs/dbraw/zinc/12/53/52/257125352.db2.gz OOEWFAJUYVNFQO-SFHVURJKSA-N 1 1 301.478 4.399 40 0 DIABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216663 257125639 /nfs/dbraw/zinc/12/56/39/257125639.db2.gz BBQZKWDVLNILBK-SFHVURJKSA-N 1 1 301.478 4.397 40 0 DIABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216125 257125682 /nfs/dbraw/zinc/12/56/82/257125682.db2.gz SSJUQJGJGIFECR-SFHVURJKSA-N 1 1 301.478 4.255 40 0 DIABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213828 257126020 /nfs/dbraw/zinc/12/60/20/257126020.db2.gz JQPQSDYOYABOCB-IBGZPJMESA-N 1 1 307.441 4.383 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212022 257126984 /nfs/dbraw/zinc/12/69/84/257126984.db2.gz IIFRNFPXBLFDHX-LJQANCHMSA-N 1 1 310.441 4.454 40 0 DIABMO Brc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072211600 257127330 /nfs/dbraw/zinc/12/73/30/257127330.db2.gz MXEXISDTVUUKCH-OAHLLOKOSA-N 1 1 317.230 4.181 40 0 DIABMO Brc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072211600 257127331 /nfs/dbraw/zinc/12/73/31/257127331.db2.gz MXEXISDTVUUKCH-OAHLLOKOSA-N 1 1 317.230 4.181 40 0 DIABMO O=C1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000253615999 257104896 /nfs/dbraw/zinc/10/48/96/257104896.db2.gz KRJQERWTNABLPQ-VWPQPMDRSA-N 1 1 319.448 4.414 40 0 DIABMO CCSc1ccc(C(=O)[C@@]2(C)Cc3ccccc3C[NH2+]2)cc1 ZINC000001589144 563286220 /nfs/dbraw/zinc/28/62/20/563286220.db2.gz LGPRKQWPXZPGFU-LJQANCHMSA-N 1 1 311.450 4.086 40 0 DIABMO O[C@@H](C[NH+]1CCCCC1)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000001593404 563286972 /nfs/dbraw/zinc/28/69/72/563286972.db2.gz VRUWHHYSJYBMSU-LBPRGKRZSA-N 1 1 308.636 4.166 40 0 DIABMO C[N@@H+](Cc1ccccc1)Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000001632677 563288638 /nfs/dbraw/zinc/28/86/38/563288638.db2.gz LCBITDWMTQEONN-QFIPXVFZSA-N 1 1 317.432 4.400 40 0 DIABMO COc1cc2cccnc2c(NCC[N@@H+](CC(C)C)C(C)C)c1 ZINC000001687272 563291331 /nfs/dbraw/zinc/29/13/31/563291331.db2.gz LFYKYSGZGFXCHB-UHFFFAOYSA-N 1 1 315.461 4.022 40 0 DIABMO CCCCCC[C@@H](C)[N@@H+](CC)CCOC(=O)c1ccc(N)cc1 ZINC000001995944 563297724 /nfs/dbraw/zinc/29/77/24/563297724.db2.gz QBMIRMQLZIGNEJ-MRXNPFEDSA-N 1 1 320.477 4.106 40 0 DIABMO COc1ccc2[nH]cc([C@H]3CC[N@@H+](Cc4cccc(F)c4)C3)c2c1 ZINC000012329470 563366392 /nfs/dbraw/zinc/36/63/92/563366392.db2.gz UDDHOCQMIMZSLV-HNNXBMFYSA-N 1 1 324.399 4.305 40 0 DIABMO C[N@H+]1CCC[C@@H]1CCOc1cc(F)ccc1Oc1ccccc1 ZINC000585266208 563536955 /nfs/dbraw/zinc/53/69/55/563536955.db2.gz KSWWHNZKVUBNMV-MRXNPFEDSA-N 1 1 315.388 4.481 40 0 DIABMO COc1cc(-c2[nH+]c3ccccn3c2NC2CCCC2)ccc1O ZINC000000417882 563608951 /nfs/dbraw/zinc/60/89/51/563608951.db2.gz YCWFFAFEDFINSN-UHFFFAOYSA-N 1 1 323.396 4.070 40 0 DIABMO COc1cccc(C[N@H+](Cc2cccs2)Cc2cccnc2)c1 ZINC000013569707 563660242 /nfs/dbraw/zinc/66/02/42/563660242.db2.gz KTYRYXNLGJWIQZ-UHFFFAOYSA-N 1 1 324.449 4.354 40 0 DIABMO COc1cccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)c1 ZINC000013569707 563660245 /nfs/dbraw/zinc/66/02/45/563660245.db2.gz KTYRYXNLGJWIQZ-UHFFFAOYSA-N 1 1 324.449 4.354 40 0 DIABMO O=C(CN(c1ccccc1)C1=[NH+]CCCCC1)c1ccc(F)cc1 ZINC000008436116 563722368 /nfs/dbraw/zinc/72/23/68/563722368.db2.gz NBJVKOSFJFDNRQ-UHFFFAOYSA-N 1 1 324.399 4.488 40 0 DIABMO Cc1cccc(N(CC(=O)c2cccs2)C2=[NH+]CCCC2)c1 ZINC000008414613 563722385 /nfs/dbraw/zinc/72/23/85/563722385.db2.gz SVVHOUCFNSGORG-UHFFFAOYSA-N 1 1 312.438 4.328 40 0 DIABMO Cc1ccc(N(CC(=O)c2cccs2)C2=[NH+]CCCC2)cc1 ZINC000008411769 563722392 /nfs/dbraw/zinc/72/23/92/563722392.db2.gz FBZNSPAZLCYHAH-UHFFFAOYSA-N 1 1 312.438 4.328 40 0 DIABMO Fc1cccc(Cc2cnc([C@H]3CCC[N@H+]3C3CCCC3)o2)c1 ZINC000257228312 563790905 /nfs/dbraw/zinc/79/09/05/563790905.db2.gz FTJJNMRZCYUELR-GOSISDBHSA-N 1 1 314.404 4.484 40 0 DIABMO c1cc(C[N@@H+]2CCCC[C@@H]2c2ncn3ccsc23)cs1 ZINC000257247594 563791732 /nfs/dbraw/zinc/79/17/32/563791732.db2.gz IZPQJYVBJJBHFT-CYBMUJFWSA-N 1 1 303.456 4.185 40 0 DIABMO c1cc(C[N@H+]2CCCC[C@@H]2c2ncn3ccsc23)cs1 ZINC000257247594 563791733 /nfs/dbraw/zinc/79/17/33/563791733.db2.gz IZPQJYVBJJBHFT-CYBMUJFWSA-N 1 1 303.456 4.185 40 0 DIABMO CC(C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000329039671 563833492 /nfs/dbraw/zinc/83/34/92/563833492.db2.gz RYMSZLVWUXMKND-CQSZACIVSA-N 1 1 322.456 4.126 40 0 DIABMO CC(C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C2CC2)n1 ZINC000329039671 563833495 /nfs/dbraw/zinc/83/34/95/563833495.db2.gz RYMSZLVWUXMKND-CQSZACIVSA-N 1 1 322.456 4.126 40 0 DIABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C)n1 ZINC000329044257 563833709 /nfs/dbraw/zinc/83/37/09/563833709.db2.gz SVTBXYWRCHGNBL-CQSZACIVSA-N 1 1 324.472 4.293 40 0 DIABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000035446572 563867186 /nfs/dbraw/zinc/86/71/86/563867186.db2.gz ONQXLFYHRWSFPY-KRWDZBQOSA-N 1 1 305.425 4.169 40 0 biogenic,in-vitro DIABMO Cc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000035446572 563867190 /nfs/dbraw/zinc/86/71/90/563867190.db2.gz ONQXLFYHRWSFPY-KRWDZBQOSA-N 1 1 305.425 4.169 40 0 biogenic,in-vitro DIABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000035446572 563867194 /nfs/dbraw/zinc/86/71/94/563867194.db2.gz ONQXLFYHRWSFPY-KRWDZBQOSA-N 1 1 305.425 4.169 40 0 biogenic,in-vitro DIABMO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000034053058 563878038 /nfs/dbraw/zinc/87/80/38/563878038.db2.gz YHGHRIAZABSSGB-DFNIBXOVSA-N 1 1 324.472 4.078 40 0 DIABMO O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000001543424 563912958 /nfs/dbraw/zinc/91/29/58/563912958.db2.gz QKZSZFVFMKGBCO-QGZVFWFLSA-N 1 1 317.325 4.437 40 0 DIABMO Cc1ccc(C[N@@H+]2CC=C(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000226251151 563913443 /nfs/dbraw/zinc/91/34/43/563913443.db2.gz HUKKPKGYPGLUIW-UHFFFAOYSA-N 1 1 303.409 4.161 40 0 DIABMO O=C1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC001547139779 1058238328 /nfs/dbraw/zinc/23/83/28/1058238328.db2.gz KRJQERWTNABLPQ-ONTIZHBOSA-N 1 1 319.448 4.414 40 0 DIABMO Cc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH3+])C=C3C)[nH]c2c1 ZINC000072320854 191121008 /nfs/dbraw/zinc/12/10/08/191121008.db2.gz UGZMKUFYWNXYAY-ULQDDVLXSA-N 1 1 311.473 4.227 40 0 biogenic,in-vitro DIABMO CC(C)(C)C[N@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375165 191139170 /nfs/dbraw/zinc/13/91/70/191139170.db2.gz UAVZLYLQFSRSDA-CQSZACIVSA-N 1 1 316.474 4.465 40 0 DIABMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000004011835 181062288 /nfs/dbraw/zinc/06/22/88/181062288.db2.gz ADUJECNUNSENPU-WWMYMODYSA-N 1 1 323.436 4.099 40 0 DIABMO C[N@H+]1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000004744324 181146211 /nfs/dbraw/zinc/14/62/11/181146211.db2.gz CMARNPIDSNAMJM-ROUUACIJSA-N 1 1 301.817 4.150 40 0 in-man DIABMO O=C(c1ccccc1)[C@H]1C[N@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000005412049 181240325 /nfs/dbraw/zinc/24/03/25/181240325.db2.gz DYOADTOJACZXAL-PMACEKPBSA-N 1 1 305.421 4.485 40 0 DIABMO C[N@@H+](Cc1ccccc1)Cc1ccccc1[C@H](O)c1ccccc1 ZINC000005599790 181262519 /nfs/dbraw/zinc/26/25/19/181262519.db2.gz LCBITDWMTQEONN-JOCHJYFZSA-N 1 1 317.432 4.400 40 0 DIABMO CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000006356057 181333786 /nfs/dbraw/zinc/33/37/86/181333786.db2.gz ZOHVSEXZWRMRLF-WNRNVDISSA-N 1 1 319.489 4.203 40 0 DIABMO CC[C@@H](OC[C@@H](O)C[N@@H+](CC)C1CCCCC1)c1ccccc1 ZINC000006356111 181333791 /nfs/dbraw/zinc/33/37/91/181333791.db2.gz DWZLRCJCECLENB-VQTJNVASSA-N 1 1 319.489 4.170 40 0 DIABMO CC[C@@H](OC[C@H](O)C[N@@H+](CC)C1CCCCC1)c1ccccc1 ZINC000006356103 181333842 /nfs/dbraw/zinc/33/38/42/181333842.db2.gz DWZLRCJCECLENB-WOJBJXKFSA-N 1 1 319.489 4.170 40 0 DIABMO CC(C)C[N@H+]1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257276965 203006506 /nfs/dbraw/zinc/00/65/06/203006506.db2.gz NVXDFXCKJJEGTD-INIZCTEOSA-N 1 1 316.420 4.240 40 0 DIABMO Cc1csc(-c2cc(C)nc([C@@H]3CCCC[N@H+]3C(C)C)n2)n1 ZINC000257315349 203039566 /nfs/dbraw/zinc/03/95/66/203039566.db2.gz VAXYCXCZIXQMQU-HNNXBMFYSA-N 1 1 316.474 4.152 40 0 DIABMO Cc1csc(-c2cc(C)nc([C@@H]3CCCC[N@@H+]3C(C)C)n2)n1 ZINC000257315349 203039567 /nfs/dbraw/zinc/03/95/67/203039567.db2.gz VAXYCXCZIXQMQU-HNNXBMFYSA-N 1 1 316.474 4.152 40 0 DIABMO CC(C)(C)c1noc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000019084615 182104633 /nfs/dbraw/zinc/10/46/33/182104633.db2.gz PEYDFLMHRZDTCA-ZDUSSCGKSA-N 1 1 319.836 4.010 40 0 DIABMO CC(C)(C)c1noc([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000019084647 182104838 /nfs/dbraw/zinc/10/48/38/182104838.db2.gz UFJKMROZPHQMIK-CYBMUJFWSA-N 1 1 319.836 4.010 40 0 DIABMO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccccc2)on1 ZINC000019120950 182105074 /nfs/dbraw/zinc/10/50/74/182105074.db2.gz WZKKUPJYCSUBQU-KRWDZBQOSA-N 1 1 322.412 4.100 40 0 DIABMO Fc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)cc1 ZINC000019334656 182117098 /nfs/dbraw/zinc/11/70/98/182117098.db2.gz FZWKHHSJEGRKPE-OAHLLOKOSA-N 1 1 318.442 4.417 40 0 DIABMO CCn1ncc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000019523922 182128626 /nfs/dbraw/zinc/12/86/26/182128626.db2.gz UXBMIMQTOMEVBN-FQEVSTJZSA-N 1 1 323.484 4.371 40 0 DIABMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038833638 183011167 /nfs/dbraw/zinc/01/11/67/183011167.db2.gz XDOJTDOJYPRKJL-LJQANCHMSA-N 1 1 322.452 4.100 40 0 DIABMO CCc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000038835380 183011314 /nfs/dbraw/zinc/01/13/14/183011314.db2.gz RGRLUSCMTMQWSQ-UHFFFAOYSA-N 1 1 319.408 4.055 40 0 DIABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218885 257123921 /nfs/dbraw/zinc/12/39/21/257123921.db2.gz WJONPTQEMHPACE-SFHVURJKSA-N 1 1 301.478 4.317 40 0 DIABMO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCC[N@@H+]1C(C)C ZINC000072219300 257124185 /nfs/dbraw/zinc/12/41/85/257124185.db2.gz PIAYGVBUVGGYOJ-SFHVURJKSA-N 1 1 301.478 4.316 40 0 DIABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218824 257124343 /nfs/dbraw/zinc/12/43/43/257124343.db2.gz GKUPEHDCTKWABG-GOSISDBHSA-N 1 1 301.478 4.317 40 0 DIABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216720 257125570 /nfs/dbraw/zinc/12/55/70/257125570.db2.gz WNLURJNNFYTTSL-GOSISDBHSA-N 1 1 301.478 4.399 40 0 DIABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214323 257126066 /nfs/dbraw/zinc/12/60/66/257126066.db2.gz YJHDZVGZRJEOCJ-OAHLLOKOSA-N 1 1 319.449 4.366 40 0 DIABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2NC2CC2)cc1 ZINC000072213744 257126534 /nfs/dbraw/zinc/12/65/34/257126534.db2.gz ABIDYRCQQLPPFL-LJQANCHMSA-N 1 1 307.441 4.383 40 0 DIABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213888 257126632 /nfs/dbraw/zinc/12/66/32/257126632.db2.gz MSMNZPZMBAFRQQ-IBGZPJMESA-N 1 1 307.441 4.383 40 0 DIABMO Clc1cccc(C[N@H+]2CC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000049168853 560084800 /nfs/dbraw/zinc/08/48/00/560084800.db2.gz WMBLAXOKZFMHGA-AWEZNQCLSA-N 1 1 312.800 4.471 40 0 biogenic,in-vitro DIABMO CCC[N@@H+](CCNc1cc(OC)cc2cccnc21)[C@H](C)CC ZINC000001656141 563289241 /nfs/dbraw/zinc/28/92/41/563289241.db2.gz RCVJKZIMWUDHPW-OAHLLOKOSA-N 1 1 315.461 4.166 40 0 DIABMO CN(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000001680252 563290919 /nfs/dbraw/zinc/29/09/19/563290919.db2.gz BTJLGJXSCRPCIT-XSDIEEQYSA-N 1 1 316.533 4.177 40 0 DIABMO CN(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000001680252 563290920 /nfs/dbraw/zinc/29/09/20/563290920.db2.gz BTJLGJXSCRPCIT-XSDIEEQYSA-N 1 1 316.533 4.177 40 0 DIABMO O=C(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000035310924 563331672 /nfs/dbraw/zinc/33/16/72/563331672.db2.gz OOTXKUDWKNXFFZ-UHFFFAOYSA-N 1 1 315.363 4.060 40 0 DIABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000007016200 563335877 /nfs/dbraw/zinc/33/58/77/563335877.db2.gz GTHTWTQDRSQZOE-MRXNPFEDSA-N 1 1 308.425 4.171 40 0 DIABMO CCOC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]c2ccccc12 ZINC000031669938 563440385 /nfs/dbraw/zinc/44/03/85/563440385.db2.gz YQTCYADVPQXATE-OAQYLSRUSA-N 1 1 320.436 4.304 40 0 DIABMO CCCC[N@H+]1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100239 563516951 /nfs/dbraw/zinc/51/69/51/563516951.db2.gz ISOAZBDCRREOMM-FQEVSTJZSA-N 1 1 320.521 4.214 40 0 DIABMO Cc1nc(N2CCc3ccccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000243316477 563604594 /nfs/dbraw/zinc/60/45/94/563604594.db2.gz LKTJKPXVCCBTKZ-UHFFFAOYSA-N 1 1 316.408 4.091 40 0 DIABMO CCn1c2ccccc2c2cc(CNCC[NH+](CC)CC)ccc21 ZINC000022076212 563714718 /nfs/dbraw/zinc/71/47/18/563714718.db2.gz SZGGFJUQPDLLTK-UHFFFAOYSA-N 1 1 323.484 4.246 40 0 DIABMO Cc1ccc(N(CC(=O)c2ccc(F)cc2)C2=[NH+]CCCC2)cc1 ZINC000008411714 563722447 /nfs/dbraw/zinc/72/24/47/563722447.db2.gz SDGIEXZRESOPHI-UHFFFAOYSA-N 1 1 324.399 4.406 40 0 DIABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccsc2)c2sccn12 ZINC000257237381 563791860 /nfs/dbraw/zinc/79/18/60/563791860.db2.gz HGFRXKNRDKKOLS-AWEZNQCLSA-N 1 1 317.483 4.493 40 0 DIABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccsc2)c2sccn12 ZINC000257237381 563791862 /nfs/dbraw/zinc/79/18/62/563791862.db2.gz HGFRXKNRDKKOLS-AWEZNQCLSA-N 1 1 317.483 4.493 40 0 DIABMO CC(C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C(C)C)n1 ZINC000328967560 563832557 /nfs/dbraw/zinc/83/25/57/563832557.db2.gz CVIPMTWFXSQQQS-HNNXBMFYSA-N 1 1 324.472 4.372 40 0 DIABMO Fc1ccc2oc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)nc2c1 ZINC000035446908 563867388 /nfs/dbraw/zinc/86/73/88/563867388.db2.gz HHXCDCPMHLMSBD-ZDUSSCGKSA-N 1 1 314.335 4.096 40 0 biogenic,in-vitro DIABMO CC(C)C[N@H+]1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000035446690 563867425 /nfs/dbraw/zinc/86/74/25/563867425.db2.gz WDMBPUKSLSQCGC-NSHDSACASA-N 1 1 311.351 4.027 40 0 biogenic,in-vitro DIABMO CC(C)C[N@@H+]1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000035446690 563867427 /nfs/dbraw/zinc/86/74/27/563867427.db2.gz WDMBPUKSLSQCGC-NSHDSACASA-N 1 1 311.351 4.027 40 0 biogenic,in-vitro DIABMO CC(C)C[N@H+]1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000035446690 563867428 /nfs/dbraw/zinc/86/74/28/563867428.db2.gz WDMBPUKSLSQCGC-NSHDSACASA-N 1 1 311.351 4.027 40 0 biogenic,in-vitro DIABMO O[C@]12C[C@H](c3ccccc3)[N@@H+](Cc3ccccc3)[C@H]1CCCC2 ZINC001547139827 1058237841 /nfs/dbraw/zinc/23/78/41/1058237841.db2.gz RIWFQVVQINEPLK-QHAWAJNXSA-N 1 1 307.437 4.307 40 0 DIABMO c1cc([C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2c2ccccc2)n[nH]1 ZINC000072395169 191149674 /nfs/dbraw/zinc/14/96/74/191149674.db2.gz WOVHQXQLMMXWRV-RBUKOAKNSA-N 1 1 309.457 4.173 40 0 DIABMO CC(=O)O[C@@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(C)cc1 ZINC000004934866 181174799 /nfs/dbraw/zinc/17/47/99/181174799.db2.gz CKPYASAJCGEVHL-BJLQDIEVSA-N 1 1 315.457 4.111 40 0 DIABMO O[C@H](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc2ccccc2c1 ZINC000004934884 181175321 /nfs/dbraw/zinc/17/53/21/181175321.db2.gz UPUJHZQDODIIMR-XGHQBKJUSA-N 1 1 309.453 4.385 40 0 DIABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2)c2sccn12 ZINC000257302399 203027585 /nfs/dbraw/zinc/02/75/85/203027585.db2.gz SCUHFIISFIPKKW-MRXNPFEDSA-N 1 1 311.454 4.431 40 0 DIABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)c2sccn12 ZINC000257302398 203028225 /nfs/dbraw/zinc/02/82/25/203028225.db2.gz SCUHFIISFIPKKW-INIZCTEOSA-N 1 1 311.454 4.431 40 0 DIABMO Cc1cnc(-c2cc([C@H]3CCCC[N@@H+]3C(C)C)nc(C)n2)s1 ZINC000257324832 203048622 /nfs/dbraw/zinc/04/86/22/203048622.db2.gz WQJRXMMTIRLSQQ-MRXNPFEDSA-N 1 1 316.474 4.152 40 0 DIABMO Fc1cccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)c1 ZINC000019293930 182113141 /nfs/dbraw/zinc/11/31/41/182113141.db2.gz KXEPREUXBVAONS-OAHLLOKOSA-N 1 1 318.442 4.417 40 0 DIABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cc(F)cc(F)c2)on1 ZINC000019120215 182105478 /nfs/dbraw/zinc/10/54/78/182105478.db2.gz KGHHNDRUBAYODM-INIZCTEOSA-N 1 1 306.356 4.379 40 0 DIABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cc(F)cc(F)c2)on1 ZINC000019120215 182105479 /nfs/dbraw/zinc/10/54/79/182105479.db2.gz KGHHNDRUBAYODM-INIZCTEOSA-N 1 1 306.356 4.379 40 0 DIABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@@H]1C ZINC000019496685 182125467 /nfs/dbraw/zinc/12/54/67/182125467.db2.gz RYNAYTUYWPFNAP-CPUCHLNUSA-N 1 1 313.445 4.035 40 0 DIABMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000019498348 182126134 /nfs/dbraw/zinc/12/61/34/182126134.db2.gz BONAYYLBXWICNH-LLVKDONJSA-N 1 1 315.467 4.319 40 0 DIABMO C[C@@H]1CCC[N@H+](C2CCN(Cc3cc4ccccc4o3)CC2)C1 ZINC000019496484 182125051 /nfs/dbraw/zinc/12/50/51/182125051.db2.gz SRIWSXVOPGZLMR-MRXNPFEDSA-N 1 1 312.457 4.129 40 0 DIABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)[C@@H]1C ZINC000019496687 182125197 /nfs/dbraw/zinc/12/51/97/182125197.db2.gz RYNAYTUYWPFNAP-CKEIUWERSA-N 1 1 313.445 4.035 40 0 DIABMO COc1cccc(-c2cccc(C[N@H+](C)Cc3cc(C)n[nH]3)c2)c1 ZINC000019658556 182135400 /nfs/dbraw/zinc/13/54/00/182135400.db2.gz XNQSQHHUVLUMLW-UHFFFAOYSA-N 1 1 321.424 4.026 40 0 DIABMO COc1cccc(-c2cccc(C[N@@H+](C)Cc3cc(C)n[nH]3)c2)c1 ZINC000019658556 182135403 /nfs/dbraw/zinc/13/54/03/182135403.db2.gz XNQSQHHUVLUMLW-UHFFFAOYSA-N 1 1 321.424 4.026 40 0 DIABMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022526830 182324883 /nfs/dbraw/zinc/32/48/83/182324883.db2.gz GRVJXNJOQXVZSD-QGZVFWFLSA-N 1 1 322.452 4.479 40 0 DIABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000038833373 183011224 /nfs/dbraw/zinc/01/12/24/183011224.db2.gz ANICCYRPIYJMLQ-UHFFFAOYSA-N 1 1 319.408 4.109 40 0 DIABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219298 257123902 /nfs/dbraw/zinc/12/39/02/257123902.db2.gz IWJWMHAEJNKPOM-GOSISDBHSA-N 1 1 301.478 4.317 40 0 DIABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219286 257123909 /nfs/dbraw/zinc/12/39/09/257123909.db2.gz KRQCJIKMNSACPN-SFHVURJKSA-N 1 1 301.478 4.317 40 0 DIABMO CCC[N@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219239 257124035 /nfs/dbraw/zinc/12/40/35/257124035.db2.gz DJHAPLGMHCFJCY-SFHVURJKSA-N 1 1 301.478 4.317 40 0 DIABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216662 257125177 /nfs/dbraw/zinc/12/51/77/257125177.db2.gz BBQZKWDVLNILBK-GOSISDBHSA-N 1 1 301.478 4.397 40 0 DIABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213827 257125859 /nfs/dbraw/zinc/12/58/59/257125859.db2.gz JQPQSDYOYABOCB-LJQANCHMSA-N 1 1 307.441 4.383 40 0 DIABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(NC3CC3)nc2)cc1 ZINC000072213804 257125869 /nfs/dbraw/zinc/12/58/69/257125869.db2.gz FNFGSZGHMKSCRZ-LJQANCHMSA-N 1 1 307.441 4.383 40 0 DIABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214396 257126050 /nfs/dbraw/zinc/12/60/50/257126050.db2.gz GUEJEBAKBFDSMD-OAHLLOKOSA-N 1 1 319.449 4.366 40 0 DIABMO C[N@@H+]1CCC[C@H](CN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000408731709 257227505 /nfs/dbraw/zinc/22/75/05/257227505.db2.gz PHXWXURONCXHFY-NRFANRHFSA-N 1 1 308.469 4.031 40 0 DIABMO C[N@H+]1CCC[C@H](CN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000408731709 257227506 /nfs/dbraw/zinc/22/75/06/257227506.db2.gz PHXWXURONCXHFY-NRFANRHFSA-N 1 1 308.469 4.031 40 0 DIABMO CN1CCC[C@H](C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000408731709 257227507 /nfs/dbraw/zinc/22/75/07/257227507.db2.gz PHXWXURONCXHFY-NRFANRHFSA-N 1 1 308.469 4.031 40 0 DIABMO C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCCO2)[C@H]1C ZINC000247883605 341370876 /nfs/dbraw/zinc/37/08/76/341370876.db2.gz RYNAYTUYWPFNAP-GRDNDAEWSA-N 1 1 313.445 4.035 40 0 DIABMO Cc1cnc(-c2ccc([C@H]3CCC[N@H+](C(C)C)C3)nc2)s1 ZINC000257208437 563790075 /nfs/dbraw/zinc/79/00/75/563790075.db2.gz BMDVBOVEWUCOBU-HNNXBMFYSA-N 1 1 301.459 4.101 40 0 DIABMO Oc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1 ZINC000000320746 563240918 /nfs/dbraw/zinc/24/09/18/563240918.db2.gz ZVBYBFPFWWXBNP-UHFFFAOYSA-N 1 1 307.397 4.452 40 0 DIABMO CCC[C@@H](C)[N@@H+](CC)CCNc1cc(OC)cc2cccnc21 ZINC000001656156 563289207 /nfs/dbraw/zinc/28/92/07/563289207.db2.gz OFRCZWKTAGPGSE-OAHLLOKOSA-N 1 1 315.461 4.166 40 0 DIABMO Clc1ccc(CNCCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000001691141 563291966 /nfs/dbraw/zinc/29/19/66/563291966.db2.gz VYFQGLQFOKTBIT-UHFFFAOYSA-N 1 1 323.267 4.263 40 0 DIABMO CC[N@@H+](C[C@@H](O)COc1ccccc1C(C)C)C1CCCCC1 ZINC000002694378 563311342 /nfs/dbraw/zinc/31/13/42/563311342.db2.gz BQMPECYWPWRCHF-GOSISDBHSA-N 1 1 319.489 4.204 40 0 DIABMO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1F ZINC000012234075 563364828 /nfs/dbraw/zinc/36/48/28/563364828.db2.gz MQGBMWJUPPIBFX-QGZVFWFLSA-N 1 1 313.351 4.178 40 0 DIABMO Fc1ccc(C[N@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1F ZINC000012234075 563364830 /nfs/dbraw/zinc/36/48/30/563364830.db2.gz MQGBMWJUPPIBFX-QGZVFWFLSA-N 1 1 313.351 4.178 40 0 DIABMO C[N@@H+]1CCc2c3ccccc3[nH]c2C[C@@H](c2ccccc2)CC1 ZINC000013679807 563385322 /nfs/dbraw/zinc/38/53/22/563385322.db2.gz MEHMCAALFDXXGP-KRWDZBQOSA-N 1 1 304.437 4.372 40 0 DIABMO Cc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCCCC4)C3)o2)cc1 ZINC000049169904 563700848 /nfs/dbraw/zinc/70/08/48/563700848.db2.gz NJRKRXPPLCJNCP-INIZCTEOSA-N 1 1 311.429 4.167 40 0 biogenic,in-vitro DIABMO CC1(C)C=C(c2cccc3ccccc32)c2ccccc2C1(N)[NH3+] ZINC000095931939 563724581 /nfs/dbraw/zinc/72/45/81/563724581.db2.gz NIMBHRCDIOJEDA-UHFFFAOYSA-N 1 1 314.432 4.382 40 0 DIABMO Cc1csc(-c2ccc([C@H]3CCC[N@H+](C(C)C)C3)nc2)n1 ZINC000257241773 563791690 /nfs/dbraw/zinc/79/16/90/563791690.db2.gz HZNVHJJKZGQSGX-HNNXBMFYSA-N 1 1 301.459 4.101 40 0 DIABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc3cc(F)ccc3o2)C1 ZINC000035446914 563867401 /nfs/dbraw/zinc/86/74/01/563867401.db2.gz BLTKGDPVCBJXSG-HNNXBMFYSA-N 1 1 310.372 4.265 40 0 biogenic,in-vitro DIABMO CC(=O)OCCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001726042 563924880 /nfs/dbraw/zinc/92/48/80/563924880.db2.gz GPAXMNGNOCBZMH-NSHDSACASA-N 1 1 306.793 4.032 40 0 DIABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH3+])C=C3C)[nH]c21 ZINC000096296141 563936138 /nfs/dbraw/zinc/93/61/38/563936138.db2.gz KBFVACYMQKXUCI-ULQDDVLXSA-N 1 1 311.473 4.227 40 0 biogenic,in-vitro DIABMO COc1cccc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC000013989203 1041502840 /nfs/dbraw/zinc/50/28/40/1041502840.db2.gz BHWJYDNJZJDXLI-UHFFFAOYSA-N 1 1 318.420 4.293 40 0 DIABMO c1c2c(nn1-c1ccccc1)-c1ccccc1C[N@H+](CC1CC1)C2 ZINC000306136701 231089955 /nfs/dbraw/zinc/08/99/55/231089955.db2.gz QATOPPTWUORWJD-UHFFFAOYSA-N 1 1 315.420 4.265 40 0 DIABMO c1c2c(nn1-c1ccccc1)-c1ccccc1C[N@@H+](CC1CC1)C2 ZINC000306136701 231089957 /nfs/dbraw/zinc/08/99/57/231089957.db2.gz QATOPPTWUORWJD-UHFFFAOYSA-N 1 1 315.420 4.265 40 0 DIABMO C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357523 191130417 /nfs/dbraw/zinc/13/04/17/191130417.db2.gz XLBYJDVNOCGMRG-QGZVFWFLSA-N 1 1 320.358 4.458 40 0 DIABMO Cc1ccccc1C[N@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369822 191140165 /nfs/dbraw/zinc/14/01/65/191140165.db2.gz LHBXKGCRNQVEMI-GOSISDBHSA-N 1 1 319.408 4.035 40 0 DIABMO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(NC3CCCC3)n2c1 ZINC000000417893 180782582 /nfs/dbraw/zinc/78/25/82/180782582.db2.gz DHEMWGBIKVGZGS-UHFFFAOYSA-N 1 1 307.397 4.370 40 0 DIABMO CN(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@H]12 ZINC000004946260 181177403 /nfs/dbraw/zinc/17/74/03/181177403.db2.gz BTJLGJXSCRPCIT-FXELSEDVSA-N 1 1 316.533 4.177 40 0 DIABMO CN(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@H]12 ZINC000004946260 181177404 /nfs/dbraw/zinc/17/74/04/181177404.db2.gz BTJLGJXSCRPCIT-FXELSEDVSA-N 1 1 316.533 4.177 40 0 DIABMO CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000006356066 181333867 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C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019496686 182125345 /nfs/dbraw/zinc/12/53/45/182125345.db2.gz RYNAYTUYWPFNAP-VBQJREDUSA-N 1 1 313.445 4.035 40 0 DIABMO CC(C)N1CCC([N@H+](C)CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019447834 182123694 /nfs/dbraw/zinc/12/36/94/182123694.db2.gz CKHLHPSSUJZHOW-UHFFFAOYSA-N 1 1 320.908 4.176 40 0 DIABMO CC(C)N1CCC([N@@H+](C)CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019447834 182123695 /nfs/dbraw/zinc/12/36/95/182123695.db2.gz CKHLHPSSUJZHOW-UHFFFAOYSA-N 1 1 320.908 4.176 40 0 DIABMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038833386 183011427 /nfs/dbraw/zinc/01/14/27/183011427.db2.gz NTCYHJWWOQSGPU-LJQANCHMSA-N 1 1 322.452 4.154 40 0 DIABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C ZINC000038833578 183011565 /nfs/dbraw/zinc/01/15/65/183011565.db2.gz GMWZMDJDKHMIGC-IBGZPJMESA-N 1 1 322.452 4.154 40 0 DIABMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000038835170 183011577 /nfs/dbraw/zinc/01/15/77/183011577.db2.gz 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CCC[N@H+]1C[C@@H](CSC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000009214248 563401743 /nfs/dbraw/zinc/40/17/43/563401743.db2.gz YEHCICAEULNIGD-XCRHUMRWSA-N 1 1 314.498 4.271 40 0 DIABMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1c(C)nc2sccn12 ZINC000036741531 563457544 /nfs/dbraw/zinc/45/75/44/563457544.db2.gz ZFYVTCIHGFIESM-ZDUSSCGKSA-N 1 1 317.483 4.275 40 0 DIABMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1c(C)nc2sccn12 ZINC000036741531 563457546 /nfs/dbraw/zinc/45/75/46/563457546.db2.gz ZFYVTCIHGFIESM-ZDUSSCGKSA-N 1 1 317.483 4.275 40 0 DIABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)C)cc1 ZINC000000413724 563608713 /nfs/dbraw/zinc/60/87/13/563608713.db2.gz KIYXSLKAWMRNII-UHFFFAOYSA-N 1 1 315.804 4.484 40 0 DIABMO COc1ccc(C[N@H+](Cc2ccsc2)Cc2ccncc2)cc1 ZINC000013570236 563660147 /nfs/dbraw/zinc/66/01/47/563660147.db2.gz ASPAROHCEDPIEW-UHFFFAOYSA-N 1 1 324.449 4.354 40 0 DIABMO COc1ccc(C[N@@H+](Cc2ccsc2)Cc2ccncc2)cc1 ZINC000013570236 563660149 /nfs/dbraw/zinc/66/01/49/563660149.db2.gz ASPAROHCEDPIEW-UHFFFAOYSA-N 1 1 324.449 4.354 40 0 DIABMO C[C@H]1c2ccccc2CCN1c1cc[nH+]c(NC2CCCCC2)n1 ZINC000329015339 563833421 /nfs/dbraw/zinc/83/34/21/563833421.db2.gz NAINSXJQTIZTAQ-HNNXBMFYSA-N 1 1 322.456 4.345 40 0 DIABMO COc1ccccc1C[N@H+]1CC[C@H](c2nc3cc(C)ccc3o2)C1 ZINC000035446498 563867044 /nfs/dbraw/zinc/86/70/44/563867044.db2.gz SLIQPCSSDRAHRW-INIZCTEOSA-N 1 1 322.408 4.134 40 0 biogenic,in-vitro DIABMO CCCCCC[C@H](C(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000299817311 1041826250 /nfs/dbraw/zinc/82/62/50/1041826250.db2.gz SUZXRHPREJMNOG-MRXNPFEDSA-N 1 1 317.429 4.033 40 0 in-vitro DIABMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000227109486 1052127041 /nfs/dbraw/zinc/12/70/41/1052127041.db2.gz VUEZNONIYWVUJQ-IAGOWNOFSA-N 1 1 322.452 4.413 40 0 DIABMO O[C@H]1CCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC001547139791 1058238721 /nfs/dbraw/zinc/23/87/21/1058238721.db2.gz ASUIJTQOWIPBJV-LRSLUSHPSA-N 1 1 321.464 4.206 40 0 DIABMO FC(F)(F)c1ccc(Br)c(C[NH+]2CCCCC2)c1 ZINC000090413530 185295016 /nfs/dbraw/zinc/29/50/16/185295016.db2.gz KFNWEIPOFYZEMJ-UHFFFAOYSA-N 1 1 322.168 4.454 40 0 DIABMO O=P(Oc1ccccc1)(Oc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000003823283 181046822 /nfs/dbraw/zinc/04/68/22/181046822.db2.gz QKZSZFVFMKGBCO-KRWDZBQOSA-N 1 1 317.325 4.437 40 0 DIABMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000004897847 181170459 /nfs/dbraw/zinc/17/04/59/181170459.db2.gz VUEZNONIYWVUJQ-IRXDYDNUSA-N 1 1 322.452 4.413 40 0 DIABMO COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](CC1CC1)CC3 ZINC000006411824 181339063 /nfs/dbraw/zinc/33/90/63/181339063.db2.gz PSWCBSBDTUQQIX-HMXCVIKNSA-N 1 1 311.469 4.164 40 0 DIABMO CC[N@H+]1CCC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4(C)O)[C@@H]3CC[C@H]12 ZINC000006438639 181341332 /nfs/dbraw/zinc/34/13/32/181341332.db2.gz NZOLRXNSWUPNDS-OCZHUQCSSA-N 1 1 319.533 4.464 40 0 DIABMO Fc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c1 ZINC000019293931 182113138 /nfs/dbraw/zinc/11/31/38/182113138.db2.gz VWONYFDQGVRCSY-HNNXBMFYSA-N 1 1 318.442 4.417 40 0 DIABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(F)c(F)c2)on1 ZINC000019120241 182105365 /nfs/dbraw/zinc/10/53/65/182105365.db2.gz XBERGOHEPPTHOU-MRXNPFEDSA-N 1 1 306.356 4.379 40 0 DIABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccc(F)c(F)c2)on1 ZINC000019120241 182105366 /nfs/dbraw/zinc/10/53/66/182105366.db2.gz XBERGOHEPPTHOU-MRXNPFEDSA-N 1 1 306.356 4.379 40 0 DIABMO Cc1[nH+]c(NCc2ccccc2)ccc1[C@@H](O)c1ccccc1 ZINC000072224415 257123493 /nfs/dbraw/zinc/12/34/93/257123493.db2.gz JPHDESLBZDXIRS-FQEVSTJZSA-N 1 1 304.393 4.084 40 0 DIABMO Cc1cc(N2CCCC2)ncc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072218883 257124139 /nfs/dbraw/zinc/12/41/39/257124139.db2.gz LCDKXHMOMIZHNS-GOSISDBHSA-N 1 1 301.478 4.173 40 0 DIABMO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072219223 257124378 /nfs/dbraw/zinc/12/43/78/257124378.db2.gz ZUNJJXVLVBBIJK-SFHVURJKSA-N 1 1 301.478 4.173 40 0 DIABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218825 257124423 /nfs/dbraw/zinc/12/44/23/257124423.db2.gz GKUPEHDCTKWABG-SFHVURJKSA-N 1 1 301.478 4.317 40 0 DIABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216124 257125689 /nfs/dbraw/zinc/12/56/89/257125689.db2.gz SSJUQJGJGIFECR-GOSISDBHSA-N 1 1 301.478 4.255 40 0 DIABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214339 257125954 /nfs/dbraw/zinc/12/59/54/257125954.db2.gz SYWXQAFQJAWZAY-HNNXBMFYSA-N 1 1 319.449 4.364 40 0 DIABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214399 257126423 /nfs/dbraw/zinc/12/64/23/257126423.db2.gz KIPOZSXTLANQLJ-HNNXBMFYSA-N 1 1 319.449 4.364 40 0 DIABMO CC(C)CNc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072213243 257127017 /nfs/dbraw/zinc/12/70/17/257127017.db2.gz IJRARKQPHYQUJQ-IBGZPJMESA-N 1 1 309.457 4.487 40 0 DIABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213020 257127161 /nfs/dbraw/zinc/12/71/61/257127161.db2.gz HXTHWRQNVYJQKN-SFHVURJKSA-N 1 1 303.494 4.498 40 0 DIABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc4cc(C)ccc4o3)C2)cc1 ZINC000049168839 560084810 /nfs/dbraw/zinc/08/48/10/560084810.db2.gz LNDVLXOYJKMPJD-KRWDZBQOSA-N 1 1 306.409 4.434 40 0 biogenic,in-vitro DIABMO Cc1ccc2c(=O)c(C[N@H+](C)C3CCCCC3)c(C)[nH]c2c1C ZINC000000099510 563217041 /nfs/dbraw/zinc/21/70/41/563217041.db2.gz PDOWJGFXBZAORY-UHFFFAOYSA-N 1 1 312.457 4.218 40 0 DIABMO O=C(c1ccccc1)[C@H]1C[N@H+](C2CCCC2)[C@@H]1c1ccccc1 ZINC000001557504 563284902 /nfs/dbraw/zinc/28/49/02/563284902.db2.gz DYOADTOJACZXAL-VQTJNVASSA-N 1 1 305.421 4.485 40 0 DIABMO Nc1[nH+]cnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccccc1 ZINC000001609264 563287551 /nfs/dbraw/zinc/28/75/51/563287551.db2.gz JGFWVJGJAGIZLY-UHFFFAOYSA-N 1 1 320.783 4.323 40 0 DIABMO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(F)ccc21 ZINC000001693069 563291861 /nfs/dbraw/zinc/29/18/61/563291861.db2.gz OTKWDNCXANVGKB-CQSZACIVSA-N 1 1 303.425 4.296 40 0 DIABMO CCCC[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002495717 563304701 /nfs/dbraw/zinc/30/47/01/563304701.db2.gz MRZPUHWOCOJGFJ-QGZVFWFLSA-N 1 1 302.462 4.205 40 0 DIABMO CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000031628048 563337224 /nfs/dbraw/zinc/33/72/24/563337224.db2.gz NZGPVVILHDQKBZ-GOSISDBHSA-N 1 1 303.833 4.284 40 0 DIABMO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1cccc2ccccc21 ZINC000012186450 563363732 /nfs/dbraw/zinc/36/37/32/563363732.db2.gz SHQYWKYPVMUKHC-LAUBAEHRSA-N 1 1 315.420 4.200 40 0 DIABMO C[N@H+]1[C@@H](c2ccccc2)[C@H]2CCC[C@H]([C@H]2O)[C@H]1c1ccccc1 ZINC000100745666 563553230 /nfs/dbraw/zinc/55/32/30/563553230.db2.gz VOVYUVZGDORCCG-GCFHALSMSA-N 1 1 307.437 4.192 40 0 DIABMO COc1ccc(-c2[nH+]c3ccccn3c2NC2CCCC2)cc1O ZINC000000417883 563608760 /nfs/dbraw/zinc/60/87/60/563608760.db2.gz UQWQFRARGXGMHQ-UHFFFAOYSA-N 1 1 323.396 4.070 40 0 DIABMO CC(C)c1cc(C[NH+]2[C@H](C)COC[C@H]2C)cc(C(C)C)c1O ZINC000031648047 563644872 /nfs/dbraw/zinc/64/48/72/563644872.db2.gz CABIFKLIZMZVIX-HUUCEWRRSA-N 1 1 305.462 4.248 40 0 DIABMO Cc1ccccc1N(CC(=O)c1ccc(F)cc1)C1=[NH+]CCCC1 ZINC000008415722 563722353 /nfs/dbraw/zinc/72/23/53/563722353.db2.gz VHQLXLZLLKEDQG-UHFFFAOYSA-N 1 1 324.399 4.406 40 0 DIABMO CCNc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C2CC2)n1 ZINC000329061269 563833899 /nfs/dbraw/zinc/83/38/99/563833899.db2.gz WPZJVBAJISDCTN-UHFFFAOYSA-N 1 1 322.456 4.084 40 0 DIABMO CC(C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000329039669 563833946 /nfs/dbraw/zinc/83/39/46/563833946.db2.gz RYMSZLVWUXMKND-AWEZNQCLSA-N 1 1 322.456 4.126 40 0 DIABMO CC(C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)[nH+]c(C2CC2)n1 ZINC000329039669 563833948 /nfs/dbraw/zinc/83/39/48/563833948.db2.gz RYMSZLVWUXMKND-AWEZNQCLSA-N 1 1 322.456 4.126 40 0 DIABMO O[C@H]1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC001547139796 1058237902 /nfs/dbraw/zinc/23/79/02/1058237902.db2.gz ASUIJTQOWIPBJV-CMOCDZPBSA-N 1 1 321.464 4.206 40 0 DIABMO O[C@]12C[C@@H](c3ccccc3)[N@@H+](Cc3ccccc3)[C@H]1CCCC2 ZINC001547139826 1058238565 /nfs/dbraw/zinc/23/85/65/1058238565.db2.gz RIWFQVVQINEPLK-PCCBWWKXSA-N 1 1 307.437 4.307 40 0 DIABMO CC(C)(C)c1ccc(-c2n[nH]c([C@@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000095534909 185379433 /nfs/dbraw/zinc/37/94/33/185379433.db2.gz KAGMCURQTJEWAJ-KRWDZBQOSA-N 1 1 320.440 4.012 40 0 DIABMO Cc1cccc(C[N@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369823 191139563 /nfs/dbraw/zinc/13/95/63/191139563.db2.gz DFHAPSPYMYCGNI-SFHVURJKSA-N 1 1 319.408 4.035 40 0 DIABMO CC(C)[N@@H+](C)CCOC(=O)[C@@H](c1ccccc1)[C@H]1C=CCCC1 ZINC000004692034 181137597 /nfs/dbraw/zinc/13/75/97/181137597.db2.gz KAYIKQQQTHUULM-OALUTQOASA-N 1 1 315.457 4.010 40 0 DIABMO CN(C)CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000004946261 181177808 /nfs/dbraw/zinc/17/78/08/181177808.db2.gz BTJLGJXSCRPCIT-WOZUAGRISA-N 1 1 316.533 4.177 40 0 DIABMO CN(C)CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CCCCC1=C1CCCC[C@@H]12 ZINC000004946261 181177810 /nfs/dbraw/zinc/17/78/10/181177810.db2.gz BTJLGJXSCRPCIT-WOZUAGRISA-N 1 1 316.533 4.177 40 0 DIABMO Cc1csc(-c2cc(C)nc([C@H]3CCCC[N@H+]3C(C)C)n2)n1 ZINC000257315350 203037913 /nfs/dbraw/zinc/03/79/13/203037913.db2.gz VAXYCXCZIXQMQU-OAHLLOKOSA-N 1 1 316.474 4.152 40 0 DIABMO Cc1csc(-c2cc(C)nc([C@H]3CCCC[N@@H+]3C(C)C)n2)n1 ZINC000257315350 203037917 /nfs/dbraw/zinc/03/79/17/203037917.db2.gz VAXYCXCZIXQMQU-OAHLLOKOSA-N 1 1 316.474 4.152 40 0 DIABMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000038833326 183010983 /nfs/dbraw/zinc/01/09/83/183010983.db2.gz WGMALTLQSNSRMZ-IBGZPJMESA-N 1 1 322.452 4.154 40 0 DIABMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038833387 183011008 /nfs/dbraw/zinc/01/10/08/183011008.db2.gz NTCYHJWWOQSGPU-IBGZPJMESA-N 1 1 322.452 4.154 40 0 DIABMO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000038833514 183011131 /nfs/dbraw/zinc/01/11/31/183011131.db2.gz SCFSGVCFQDFUKE-LJQANCHMSA-N 1 1 322.452 4.154 40 0 DIABMO Cc1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038833258 183011419 /nfs/dbraw/zinc/01/14/19/183011419.db2.gz MYIBXJLOBUAZST-KRWDZBQOSA-N 1 1 322.452 4.479 40 0 DIABMO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000038835253 183011602 /nfs/dbraw/zinc/01/16/02/183011602.db2.gz XYTGMXVEBILDJI-IBGZPJMESA-N 1 1 322.452 4.100 40 0 DIABMO CCc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038833680 183011619 /nfs/dbraw/zinc/01/16/19/183011619.db2.gz XHVHMBNGNUOVBD-UHFFFAOYSA-N 1 1 319.408 4.055 40 0 DIABMO CCCC[N@H+]1CCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219166 257124165 /nfs/dbraw/zinc/12/41/65/257124165.db2.gz ZIQHDBYDGUAYJJ-SFHVURJKSA-N 1 1 301.478 4.317 40 0 DIABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218944 257124370 /nfs/dbraw/zinc/12/43/70/257124370.db2.gz WLCPRJDGRUXGOM-GOSISDBHSA-N 1 1 301.478 4.317 40 0 DIABMO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCC[N@@H+]1CC(C)C ZINC000072219283 257124456 /nfs/dbraw/zinc/12/44/56/257124456.db2.gz FSIJZPGHWNTXAP-SFHVURJKSA-N 1 1 301.478 4.173 40 0 DIABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216647 257124755 /nfs/dbraw/zinc/12/47/55/257124755.db2.gz JRBULOBJZDXWEY-GOSISDBHSA-N 1 1 301.478 4.399 40 0 DIABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216127 257124966 /nfs/dbraw/zinc/12/49/66/257124966.db2.gz QHQSVDNWQVMUKM-SFHVURJKSA-N 1 1 301.478 4.399 40 0 DIABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216092 257125237 /nfs/dbraw/zinc/12/52/37/257125237.db2.gz AANDTDZMPOIEJR-FQEVSTJZSA-N 1 1 321.468 4.409 40 0 DIABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214398 257126055 /nfs/dbraw/zinc/12/60/55/257126055.db2.gz KIPOZSXTLANQLJ-OAHLLOKOSA-N 1 1 319.449 4.364 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214321 257126443 /nfs/dbraw/zinc/12/64/43/257126443.db2.gz CAJFQOJBNCYODC-OAHLLOKOSA-N 1 1 319.449 4.222 40 0 DIABMO CCN(CC)c1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212886 257126890 /nfs/dbraw/zinc/12/68/90/257126890.db2.gz VTZBYLVEMSRNGK-LJQANCHMSA-N 1 1 309.457 4.265 40 0 DIABMO CCNc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)[nH+]1 ZINC000328960046 528427985 /nfs/dbraw/zinc/42/79/85/528427985.db2.gz AWMJNBFWEGMQBJ-UHFFFAOYSA-N 1 1 322.456 4.127 40 0 DIABMO CCNc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C2CC2)n1 ZINC000328960046 528427988 /nfs/dbraw/zinc/42/79/88/528427988.db2.gz AWMJNBFWEGMQBJ-UHFFFAOYSA-N 1 1 322.456 4.127 40 0 DIABMO CCCC[N@H+]1CC[C@H](CNc2ccnc3cc(Cl)ccc32)C1 ZINC000001672562 563290717 /nfs/dbraw/zinc/29/07/17/563290717.db2.gz POCBOQIQIWTVTO-CQSZACIVSA-N 1 1 317.864 4.422 40 0 DIABMO CC[N@@H+](C[C@H](O)COc1ccccc1C(C)C)C1CCCCC1 ZINC000002694375 563311201 /nfs/dbraw/zinc/31/12/01/563311201.db2.gz BQMPECYWPWRCHF-SFHVURJKSA-N 1 1 319.489 4.204 40 0 DIABMO CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000008412674 563347260 /nfs/dbraw/zinc/34/72/60/563347260.db2.gz ACPFVPIMJKWYNK-UHFFFAOYSA-N 1 1 314.392 4.438 40 0 DIABMO c1c(C[NH+]2CCOCC2)c(-c2ccccc2)oc1-c1ccccc1 ZINC000031772641 563440408 /nfs/dbraw/zinc/44/04/08/563440408.db2.gz MWXMOCPIXXHLNX-UHFFFAOYSA-N 1 1 319.404 4.446 40 0 DIABMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1c(C)nc2sccn12 ZINC000036741530 563457458 /nfs/dbraw/zinc/45/74/58/563457458.db2.gz ZFYVTCIHGFIESM-CYBMUJFWSA-N 1 1 317.483 4.275 40 0 DIABMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1c(C)nc2sccn12 ZINC000036741530 563457462 /nfs/dbraw/zinc/45/74/62/563457462.db2.gz ZFYVTCIHGFIESM-CYBMUJFWSA-N 1 1 317.483 4.275 40 0 DIABMO CC[C@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100300 563516762 /nfs/dbraw/zinc/51/67/62/563516762.db2.gz JVUXNZYQENGYRY-PXNSSMCTSA-N 1 1 320.521 4.212 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000585182392 563525375 /nfs/dbraw/zinc/52/53/75/563525375.db2.gz GZDBYDFKBAOWAT-QGZVFWFLSA-N 1 1 302.393 4.197 40 0 DIABMO C[N@H+]1CCC[C@H]1CCOc1cc(F)ccc1Oc1ccccc1 ZINC000585266206 563537298 /nfs/dbraw/zinc/53/72/98/563537298.db2.gz KSWWHNZKVUBNMV-INIZCTEOSA-N 1 1 315.388 4.481 40 0 DIABMO Fc1ccc2oc([C@H]3CC[N@@H+](CC4CCCCC4)C3)nc2c1 ZINC000049169150 563700684 /nfs/dbraw/zinc/70/06/84/563700684.db2.gz JXICCHYACYLCGN-AWEZNQCLSA-N 1 1 302.393 4.337 40 0 biogenic,in-vitro DIABMO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000216865336 563712145 /nfs/dbraw/zinc/71/21/45/563712145.db2.gz NGCUYMKHNHTWJO-STQMWFEESA-N 1 1 317.477 4.044 40 0 DIABMO c1cc(C[N@@H+]2CCCC[C@H]2c2ncn3ccsc23)cs1 ZINC000257247595 563791595 /nfs/dbraw/zinc/79/15/95/563791595.db2.gz IZPQJYVBJJBHFT-ZDUSSCGKSA-N 1 1 303.456 4.185 40 0 DIABMO c1cc(C[N@H+]2CCCC[C@H]2c2ncn3ccsc23)cs1 ZINC000257247595 563791596 /nfs/dbraw/zinc/79/15/96/563791596.db2.gz IZPQJYVBJJBHFT-ZDUSSCGKSA-N 1 1 303.456 4.185 40 0 DIABMO Cc1cc(C)c2cc(C[NH2+]Cc3ccco3)c(Cl)nc2c1 ZINC000013535440 563840114 /nfs/dbraw/zinc/84/01/14/563840114.db2.gz ZAIAWZIPUHTBRT-UHFFFAOYSA-N 1 1 300.789 4.388 40 0 DIABMO Cc1ccc2[nH]c(C3=CC[N@@H+](Cc4ccccc4)CC3)nc2c1 ZINC000226250734 563913428 /nfs/dbraw/zinc/91/34/28/563913428.db2.gz GNVOSPNELWGZHO-UHFFFAOYSA-N 1 1 303.409 4.161 40 0 DIABMO Cc1ccc2nc(C3=CC[N@H+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000226250734 563913429 /nfs/dbraw/zinc/91/34/29/563913429.db2.gz GNVOSPNELWGZHO-UHFFFAOYSA-N 1 1 303.409 4.161 40 0 DIABMO Cc1ccc2nc(C3=CC[N@@H+](Cc4ccccc4)CC3)[nH]c2c1 ZINC000226250734 563913430 /nfs/dbraw/zinc/91/34/30/563913430.db2.gz GNVOSPNELWGZHO-UHFFFAOYSA-N 1 1 303.409 4.161 40 0 DIABMO CSc1ccc(C[N@H+](Cc2sccc2C)C[C@H](C)O)cc1 ZINC000013991536 1041502784 /nfs/dbraw/zinc/50/27/84/1041502784.db2.gz SBHVDRLJWPVXSY-AWEZNQCLSA-N 1 1 321.511 4.161 40 0 DIABMO C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072348584 191127633 /nfs/dbraw/zinc/12/76/33/191127633.db2.gz OSSOYFJZFLBUOO-OAHLLOKOSA-N 1 1 300.833 4.135 40 0 DIABMO C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072348586 191127948 /nfs/dbraw/zinc/12/79/48/191127948.db2.gz KHGIMYFCNGBMNH-HNNXBMFYSA-N 1 1 300.833 4.135 40 0 DIABMO CC(C)(C)C[N@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375166 191139087 /nfs/dbraw/zinc/13/90/87/191139087.db2.gz UAVZLYLQFSRSDA-AWEZNQCLSA-N 1 1 316.474 4.465 40 0 DIABMO CC(C)c1[nH]c2ncccc2c1C[N@@H+](C)CCc1ccccc1 ZINC000072393353 191149284 /nfs/dbraw/zinc/14/92/84/191149284.db2.gz MPJPXDSOXJIPKJ-UHFFFAOYSA-N 1 1 307.441 4.361 40 0 DIABMO CCC[N@H+]1C[C@@H](CSC)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000003831297 181047934 /nfs/dbraw/zinc/04/79/34/181047934.db2.gz YEHCICAEULNIGD-OWQGQXMQSA-N 1 1 314.498 4.271 40 0 DIABMO O=C(c1ccccc1)[C@@H]1C[N@H+](C2CCCC2)[C@@H]1c1ccccc1 ZINC000005412041 181240182 /nfs/dbraw/zinc/24/01/82/181240182.db2.gz DYOADTOJACZXAL-WOJBJXKFSA-N 1 1 305.421 4.485 40 0 DIABMO CCC[C@H](C)[N@@H+](CC)CCNc1cc(OC)cc2cccnc21 ZINC000005839073 181288550 /nfs/dbraw/zinc/28/85/50/181288550.db2.gz OFRCZWKTAGPGSE-HNNXBMFYSA-N 1 1 315.461 4.166 40 0 DIABMO Cc1nc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c2ccccn12 ZINC000019240663 182111806 /nfs/dbraw/zinc/11/18/06/182111806.db2.gz NIMOGNJKBGGHHD-LJQANCHMSA-N 1 1 319.452 4.065 40 0 DIABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)s1 ZINC000019217208 182108346 /nfs/dbraw/zinc/10/83/46/182108346.db2.gz RKJZGRYLOZVOEU-OAHLLOKOSA-N 1 1 311.454 4.312 40 0 DIABMO Fc1ccc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1 ZINC000019346909 182118199 /nfs/dbraw/zinc/11/81/99/182118199.db2.gz JYFVHGFLSFULOP-INIZCTEOSA-N 1 1 309.388 4.082 40 0 DIABMO C[N@H+]1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019365270 182118888 /nfs/dbraw/zinc/11/88/88/182118888.db2.gz WEUCDJCFJHYFRL-IBGZPJMESA-N 1 1 314.860 4.067 40 0 in-man DIABMO CN1CCC[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019365270 182118889 /nfs/dbraw/zinc/11/88/89/182118889.db2.gz WEUCDJCFJHYFRL-IBGZPJMESA-N 1 1 314.860 4.067 40 0 in-man DIABMO CN1CCC[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019365270 182118890 /nfs/dbraw/zinc/11/88/90/182118890.db2.gz WEUCDJCFJHYFRL-IBGZPJMESA-N 1 1 314.860 4.067 40 0 in-man DIABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c3ncccc3[nH]c2-c2cccnc2)C1 ZINC000019717989 182137533 /nfs/dbraw/zinc/13/75/33/182137533.db2.gz SOOJUBAOVLBMML-GASCZTMLSA-N 1 1 320.440 4.103 40 0 DIABMO CCN(CC)CC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000022076599 182308104 /nfs/dbraw/zinc/30/81/04/182308104.db2.gz VTATUWBJRFHPJP-UHFFFAOYSA-N 1 1 306.837 4.031 40 0 DIABMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022526832 182325233 /nfs/dbraw/zinc/32/52/33/182325233.db2.gz GRVJXNJOQXVZSD-KRWDZBQOSA-N 1 1 322.452 4.479 40 0 DIABMO Cc1cc(NCc2ccccc2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223373 257123131 /nfs/dbraw/zinc/12/31/31/257123131.db2.gz KEIMLVXMOAJWBU-FQEVSTJZSA-N 1 1 304.393 4.084 40 0 DIABMO CCCN(CCC)c1cc(C)c(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000072223284 257123598 /nfs/dbraw/zinc/12/35/98/257123598.db2.gz MCDIAKRWNDKLFD-UHFFFAOYSA-N 1 1 321.465 4.041 40 0 DIABMO COc1cccc(OC)c1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072221444 257124389 /nfs/dbraw/zinc/12/43/89/257124389.db2.gz FWESDVIDVZECEL-KRWDZBQOSA-N 1 1 311.425 4.431 40 0 DIABMO COc1cccc(OC)c1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072221445 257124605 /nfs/dbraw/zinc/12/46/05/257124605.db2.gz FWESDVIDVZECEL-QGZVFWFLSA-N 1 1 311.425 4.431 40 0 DIABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216064 257124924 /nfs/dbraw/zinc/12/49/24/257124924.db2.gz IJFPYAXUXZNHSS-GOSISDBHSA-N 1 1 301.478 4.255 40 0 DIABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216723 257125068 /nfs/dbraw/zinc/12/50/68/257125068.db2.gz LOAPWGDINOWBKU-SFHVURJKSA-N 1 1 301.478 4.397 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213019 257126928 /nfs/dbraw/zinc/12/69/28/257126928.db2.gz HXTHWRQNVYJQKN-GOSISDBHSA-N 1 1 303.494 4.498 40 0 DIABMO COc1ccc(-c2[nH+]c3ccccn3c2NCCC(C)C)cc1 ZINC000000417105 563252785 /nfs/dbraw/zinc/25/27/85/563252785.db2.gz VOYABOFLTAUFHZ-UHFFFAOYSA-N 1 1 309.413 4.468 40 0 DIABMO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000002694403 563311256 /nfs/dbraw/zinc/31/12/56/563311256.db2.gz ZOHVSEXZWRMRLF-BDXSIMOUSA-N 1 1 319.489 4.203 40 0 DIABMO Cc1ncc(C[N@H+]2C[C@@H](c3ccccc3)C3(C2)CCCCC3)n1C ZINC000012088118 563361977 /nfs/dbraw/zinc/36/19/77/563361977.db2.gz AGVUDOWUQDTDMZ-FQEVSTJZSA-N 1 1 323.484 4.278 40 0 DIABMO Cc1c2cc(C)ccc2[nH]c1C[N@H+](C)[C@H](C)Cc1ccccn1 ZINC000012148195 563362968 /nfs/dbraw/zinc/36/29/68/563362968.db2.gz VPDURSJMXGWGLG-OAHLLOKOSA-N 1 1 307.441 4.243 40 0 DIABMO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)c1F ZINC000012234083 563364629 /nfs/dbraw/zinc/36/46/29/563364629.db2.gz RYAFKNKRHGIZSS-MRXNPFEDSA-N 1 1 313.351 4.178 40 0 DIABMO Fc1cccc(C[N@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)c1F ZINC000012234083 563364630 /nfs/dbraw/zinc/36/46/30/563364630.db2.gz RYAFKNKRHGIZSS-MRXNPFEDSA-N 1 1 313.351 4.178 40 0 DIABMO Cc1c(C[N@H+]2C[C@@H](c3ccccc3)C3(C2)CCCCC3)cnn1C ZINC000012233876 563364664 /nfs/dbraw/zinc/36/46/64/563364664.db2.gz YPCDZUZLFZQWPA-FQEVSTJZSA-N 1 1 323.484 4.278 40 0 DIABMO CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c1nc[nH+]c2N ZINC000026281186 563425130 /nfs/dbraw/zinc/42/51/30/563425130.db2.gz CYTZASCNUGMIJP-UHFFFAOYSA-N 1 1 300.793 4.089 40 0 DIABMO CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000031613715 563440678 /nfs/dbraw/zinc/44/06/78/563440678.db2.gz XUSOQCUAEZBUMT-GOSISDBHSA-N 1 1 303.833 4.286 40 0 DIABMO O=C(C[NH+]1CCCCC1)N1c2ccccc2C=Cc2ccccc21 ZINC000000027740 563497892 /nfs/dbraw/zinc/49/78/92/563497892.db2.gz DPJQQXPZHXLJJF-UHFFFAOYSA-N 1 1 318.420 4.321 40 0 DIABMO CC[C@@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100302 563516855 /nfs/dbraw/zinc/51/68/55/563516855.db2.gz JVUXNZYQENGYRY-XLIONFOSSA-N 1 1 320.521 4.212 40 0 DIABMO CC(C)C[N@H+]1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000585182391 563525457 /nfs/dbraw/zinc/52/54/57/563525457.db2.gz GZDBYDFKBAOWAT-KRWDZBQOSA-N 1 1 302.393 4.197 40 0 DIABMO COc1cccc(F)c1C[N@H+]1CC[C@@]2(C)OC(C)(C)CC[C@H]2C1 ZINC000585286349 563542470 /nfs/dbraw/zinc/54/24/70/563542470.db2.gz QCQCGTCWJVLFDF-IFXJQAMLSA-N 1 1 321.436 4.004 40 0 DIABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2NC1CCCC1 ZINC000000417898 563609047 /nfs/dbraw/zinc/60/90/47/563609047.db2.gz HFRKIKMHRCRBAA-UHFFFAOYSA-N 1 1 307.397 4.370 40 0 DIABMO CC(C)c1nc(NC2CC2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000329065118 563834518 /nfs/dbraw/zinc/83/45/18/563834518.db2.gz XPTVLKRAXYTJTH-AWEZNQCLSA-N 1 1 322.456 4.126 40 0 DIABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)nc2c1 ZINC000035446485 563867355 /nfs/dbraw/zinc/86/73/55/563867355.db2.gz NGINRCRIHRMDEF-HNNXBMFYSA-N 1 1 310.372 4.265 40 0 biogenic,in-vitro DIABMO CCOc1ccc2nc(Cl)c(C[NH2+]Cc3ccco3)cc2c1 ZINC000012491737 563928848 /nfs/dbraw/zinc/92/88/48/563928848.db2.gz RAQUQZGTZORMFB-UHFFFAOYSA-N 1 1 316.788 4.170 40 0 DIABMO CC[N@H+]1CCC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4(C)O)[C@@H]3CC[C@H]12 ZINC000006438642 181341458 /nfs/dbraw/zinc/34/14/58/181341458.db2.gz NZOLRXNSWUPNDS-YCQAMALFSA-N 1 1 319.533 4.464 40 0 DIABMO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2ncn3ccsc23)cc1 ZINC000257284801 203012163 /nfs/dbraw/zinc/01/21/63/203012163.db2.gz PEJLCDGDZXBVHZ-HNNXBMFYSA-N 1 1 315.417 4.262 40 0 DIABMO Fc1ccc(C[N@H+]2CCCC[C@H]2c2ncn3ccsc23)cc1 ZINC000257284801 203012168 /nfs/dbraw/zinc/01/21/68/203012168.db2.gz PEJLCDGDZXBVHZ-HNNXBMFYSA-N 1 1 315.417 4.262 40 0 DIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccn12 ZINC000019240674 182111729 /nfs/dbraw/zinc/11/17/29/182111729.db2.gz VOQCPYXNEWOBFE-KRWDZBQOSA-N 1 1 323.415 4.161 40 0 DIABMO CC(C)(C)c1noc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000019084613 182104571 /nfs/dbraw/zinc/10/45/71/182104571.db2.gz PEYDFLMHRZDTCA-CYBMUJFWSA-N 1 1 319.836 4.010 40 0 DIABMO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cc(F)cc(F)c2)on1 ZINC000019120218 182105159 /nfs/dbraw/zinc/10/51/59/182105159.db2.gz KGHHNDRUBAYODM-MRXNPFEDSA-N 1 1 306.356 4.379 40 0 DIABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2cc(F)cc(F)c2)on1 ZINC000019120218 182105160 /nfs/dbraw/zinc/10/51/60/182105160.db2.gz KGHHNDRUBAYODM-MRXNPFEDSA-N 1 1 306.356 4.379 40 0 DIABMO Fc1ccc(C[N@H+]2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019345309 182118195 /nfs/dbraw/zinc/11/81/95/182118195.db2.gz MUCQFJCRMQYRMZ-HNNXBMFYSA-N 1 1 309.388 4.082 40 0 DIABMO Clc1ccc(C2(C[N@@H+](Cc3ccncc3)C3CC3)CC2)cc1 ZINC000019332727 182116137 /nfs/dbraw/zinc/11/61/37/182116137.db2.gz DPERNDSIHUJAPZ-UHFFFAOYSA-N 1 1 312.844 4.431 40 0 DIABMO C[C@H]1CCC[N@H+](C2CCN(Cc3cc4ccccc4o3)CC2)C1 ZINC000019496485 182125414 /nfs/dbraw/zinc/12/54/14/182125414.db2.gz SRIWSXVOPGZLMR-INIZCTEOSA-N 1 1 312.457 4.129 40 0 DIABMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000019498347 182126199 /nfs/dbraw/zinc/12/61/99/182126199.db2.gz BONAYYLBXWICNH-NSHDSACASA-N 1 1 315.467 4.319 40 0 DIABMO CC1(C)CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1 ZINC000019461217 182124692 /nfs/dbraw/zinc/12/46/92/182124692.db2.gz IUTSVPIHARNMEA-INIZCTEOSA-N 1 1 313.445 4.036 40 0 DIABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2N2CCCC2)cc1 ZINC000072215971 257124717 /nfs/dbraw/zinc/12/47/17/257124717.db2.gz XADLMMXPZFBVHA-LJQANCHMSA-N 1 1 307.441 4.019 40 0 DIABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2N2CCCC2)cc1 ZINC000072216008 257124766 /nfs/dbraw/zinc/12/47/66/257124766.db2.gz LDLJLIJBAIQHOG-HXUWFJFHSA-N 1 1 321.468 4.409 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216705 257125479 /nfs/dbraw/zinc/12/54/79/257125479.db2.gz NINBJCWQBVHBQM-GOSISDBHSA-N 1 1 301.478 4.255 40 0 DIABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216721 257125671 /nfs/dbraw/zinc/12/56/71/257125671.db2.gz WNLURJNNFYTTSL-SFHVURJKSA-N 1 1 301.478 4.399 40 0 DIABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214383 257126074 /nfs/dbraw/zinc/12/60/74/257126074.db2.gz HIZLMJDTWYQTLB-OAHLLOKOSA-N 1 1 319.449 4.366 40 0 DIABMO CCN(CC)c1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072212885 257126949 /nfs/dbraw/zinc/12/69/49/257126949.db2.gz VTZBYLVEMSRNGK-IBGZPJMESA-N 1 1 309.457 4.265 40 0 DIABMO c1csc(C[N@H+]2CC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000049168959 560084877 /nfs/dbraw/zinc/08/48/77/560084877.db2.gz ZKSBUMPVSRYXSK-LBPRGKRZSA-N 1 1 300.452 4.347 40 0 biogenic,in-vitro DIABMO CCCC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000002495714 563304369 /nfs/dbraw/zinc/30/43/69/563304369.db2.gz MRZPUHWOCOJGFJ-KRWDZBQOSA-N 1 1 302.462 4.205 40 0 DIABMO CCCc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccc(C)n2)no1 ZINC000012143951 563363247 /nfs/dbraw/zinc/36/32/47/563363247.db2.gz KAMMVGJJLTUKEC-IBGZPJMESA-N 1 1 313.445 4.448 40 0 DIABMO CCCc1cc([C@@H]2CCCCC[N@H+]2Cc2cccc(C)n2)no1 ZINC000012143951 563363250 /nfs/dbraw/zinc/36/32/50/563363250.db2.gz KAMMVGJJLTUKEC-IBGZPJMESA-N 1 1 313.445 4.448 40 0 DIABMO O=C1CCCC[C@H]2[C@@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951717 563531696 /nfs/dbraw/zinc/53/16/96/563531696.db2.gz KRJQERWTNABLPQ-URVUXULASA-N 1 1 319.448 4.414 40 0 biogenic DIABMO Fc1cccc(C[N@H+](Cc2cccs2)Cc2cccnc2)c1 ZINC000013569703 563660481 /nfs/dbraw/zinc/66/04/81/563660481.db2.gz RGXOQSOVARBWIA-UHFFFAOYSA-N 1 1 312.413 4.485 40 0 DIABMO Fc1cccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)c1 ZINC000013569703 563660484 /nfs/dbraw/zinc/66/04/84/563660484.db2.gz RGXOQSOVARBWIA-UHFFFAOYSA-N 1 1 312.413 4.485 40 0 DIABMO Cc1ccccc1N(CC(=O)c1cccs1)C1=[NH+]CCCC1 ZINC000008415769 563722472 /nfs/dbraw/zinc/72/24/72/563722472.db2.gz GLZGKZBPOMXCBM-UHFFFAOYSA-N 1 1 312.438 4.328 40 0 DIABMO Cc1cc(NCCC[NH3+])c2cccc(Sc3ccccc3)c2n1 ZINC000222692505 563727320 /nfs/dbraw/zinc/72/73/20/563727320.db2.gz FGSBFLAEDIICSC-UHFFFAOYSA-N 1 1 323.465 4.455 40 0 DIABMO O[C@H]1CCCC[C@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000254286819 563785346 /nfs/dbraw/zinc/78/53/46/563785346.db2.gz ASUIJTQOWIPBJV-CLAROIROSA-N 1 1 321.464 4.206 40 0 DIABMO CC(C)[N@H+]1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257202751 563789840 /nfs/dbraw/zinc/78/98/40/563789840.db2.gz ANGKOQKVCZMWDR-INIZCTEOSA-N 1 1 304.821 4.464 40 0 DIABMO CC[C@@]12CCC[N@@H+](C1)CCc1c3cccc(OC)c3[nH]c1CC2 ZINC000032275646 563922908 /nfs/dbraw/zinc/92/29/08/563922908.db2.gz BIOVFIIYODPMOE-FQEVSTJZSA-N 1 1 312.457 4.157 40 0 biogenic,in-vitro DIABMO Cc1nc(NC2CCCCC2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000240650228 1039318887 /nfs/dbraw/zinc/31/88/87/1039318887.db2.gz AFUDCWQWOARVJK-UHFFFAOYSA-N 1 1 322.456 4.092 40 0 DIABMO CCC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@@H+](C)[C@@H]1C ZINC000004594135 181128029 /nfs/dbraw/zinc/12/80/29/181128029.db2.gz HXMYADUYVHAIOZ-SYNHAJSKSA-N 1 1 317.473 4.221 40 0 DIABMO COCCNc1c(-c2ccc(Cl)cc2)[nH+]c2cccc(C)n21 ZINC000004848473 181162703 /nfs/dbraw/zinc/16/27/03/181162703.db2.gz BSOQMKBTHQQBBQ-UHFFFAOYSA-N 1 1 315.804 4.021 40 0 DIABMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000004897846 181170003 /nfs/dbraw/zinc/17/00/03/181170003.db2.gz VUEZNONIYWVUJQ-SJORKVTESA-N 1 1 322.452 4.413 40 0 DIABMO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccccc2)on1 ZINC000019120951 182104958 /nfs/dbraw/zinc/10/49/58/182104958.db2.gz WZKKUPJYCSUBQU-QGZVFWFLSA-N 1 1 322.412 4.100 40 0 DIABMO Fc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)cc1 ZINC000019334650 182117133 /nfs/dbraw/zinc/11/71/33/182117133.db2.gz FZWKHHSJEGRKPE-HNNXBMFYSA-N 1 1 318.442 4.417 40 0 DIABMO Cc1[nH+]c(NCc2ccccc2)ccc1[C@H](O)c1ccccc1 ZINC000072224414 257123823 /nfs/dbraw/zinc/12/38/23/257123823.db2.gz JPHDESLBZDXIRS-HXUWFJFHSA-N 1 1 304.393 4.084 40 0 DIABMO CCCC[N@H+]1CCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219165 257124354 /nfs/dbraw/zinc/12/43/54/257124354.db2.gz ZIQHDBYDGUAYJJ-GOSISDBHSA-N 1 1 301.478 4.317 40 0 DIABMO Cc1cc(N2CCCC2)ncc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072218882 257124541 /nfs/dbraw/zinc/12/45/41/257124541.db2.gz LCDKXHMOMIZHNS-SFHVURJKSA-N 1 1 301.478 4.173 40 0 DIABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2N2CCCC2)cc1 ZINC000072216009 257124971 /nfs/dbraw/zinc/12/49/71/257124971.db2.gz LDLJLIJBAIQHOG-FQEVSTJZSA-N 1 1 321.468 4.409 40 0 DIABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(N3CCCC3)nc2)cc1 ZINC000072215911 257125113 /nfs/dbraw/zinc/12/51/13/257125113.db2.gz ITOXHFKFWQXLSE-LJQANCHMSA-N 1 1 307.441 4.019 40 0 DIABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214336 257126024 /nfs/dbraw/zinc/12/60/24/257126024.db2.gz NOGLBSNNOHBEEP-OAHLLOKOSA-N 1 1 319.449 4.366 40 0 DIABMO CCN(C)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212742 257127029 /nfs/dbraw/zinc/12/70/29/257127029.db2.gz YRULCNPQPIMKLV-IBGZPJMESA-N 1 1 309.457 4.265 40 0 DIABMO COC(=O)c1cccc(Nc2cc[nH+]c3c(C)ccc(F)c23)c1 ZINC000064874843 257128230 /nfs/dbraw/zinc/12/82/30/257128230.db2.gz YTURQGASBHVLIE-UHFFFAOYSA-N 1 1 310.328 4.213 40 0 DIABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@H]1C ZINC000247883611 341370910 /nfs/dbraw/zinc/37/09/10/341370910.db2.gz RYNAYTUYWPFNAP-KEYYUXOJSA-N 1 1 313.445 4.035 40 0 DIABMO CC(C)Nc1cc(N2Cc3ccccc3C[C@H]2C)[nH+]c(C(C)C)n1 ZINC000328967561 527761302 /nfs/dbraw/zinc/76/13/02/527761302.db2.gz CVIPMTWFXSQQQS-OAHLLOKOSA-N 1 1 324.472 4.372 40 0 DIABMO CC[C@H](C)Nc1nc(N2Cc3ccccc3CC2(C)C)cc[nH+]1 ZINC000328968450 529183704 /nfs/dbraw/zinc/18/37/04/529183704.db2.gz CZNFNLJOGHRQOD-AWEZNQCLSA-N 1 1 310.445 4.028 40 0 DIABMO Fc1ccc2[nH]c([C@H]3CC[N@@H+](CC4CCCCC4)C3)nc2c1 ZINC000049168996 560084888 /nfs/dbraw/zinc/08/48/88/560084888.db2.gz KMIYUCGSZHWGDV-AWEZNQCLSA-N 1 1 301.409 4.072 40 0 biogenic,in-vitro DIABMO Fc1ccc2nc([C@H]3CC[N@H+](CC4CCCCC4)C3)[nH]c2c1 ZINC000049168996 560084890 /nfs/dbraw/zinc/08/48/90/560084890.db2.gz KMIYUCGSZHWGDV-AWEZNQCLSA-N 1 1 301.409 4.072 40 0 biogenic,in-vitro DIABMO Fc1ccc2nc([C@H]3CC[N@@H+](CC4CCCCC4)C3)[nH]c2c1 ZINC000049168996 560084891 /nfs/dbraw/zinc/08/48/91/560084891.db2.gz KMIYUCGSZHWGDV-AWEZNQCLSA-N 1 1 301.409 4.072 40 0 biogenic,in-vitro DIABMO CCC[C@H](O)C[N@@H+](C)Cc1cc2c(c3ccccc13)CCCC2 ZINC000001592055 563286809 /nfs/dbraw/zinc/28/68/09/563286809.db2.gz UOHIGTSTTORWPE-SFHVURJKSA-N 1 1 311.469 4.311 40 0 DIABMO CC[C@H](OC[C@H](O)C[N@@H+](CC)C1CCCCC1)c1ccccc1 ZINC000002694631 563312072 /nfs/dbraw/zinc/31/20/72/563312072.db2.gz DWZLRCJCECLENB-UXHICEINSA-N 1 1 319.489 4.170 40 0 DIABMO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cccc2ccccc21 ZINC000012186451 563363754 /nfs/dbraw/zinc/36/37/54/563363754.db2.gz SHQYWKYPVMUKHC-UTKZUKDTSA-N 1 1 315.420 4.200 40 0 DIABMO Cc1c(C[N@H+]2C[C@H](c3ccccc3)C3(C2)CCCCC3)cnn1C ZINC000012233880 563364930 /nfs/dbraw/zinc/36/49/30/563364930.db2.gz YPCDZUZLFZQWPA-HXUWFJFHSA-N 1 1 323.484 4.278 40 0 DIABMO C=Cn1ncc(C[N@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000012337399 563366066 /nfs/dbraw/zinc/36/60/66/563366066.db2.gz FXUUDTZVVWDQCW-HXUWFJFHSA-N 1 1 321.468 4.452 40 0 DIABMO O[C@H](c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000031719414 563440603 /nfs/dbraw/zinc/44/06/03/563440603.db2.gz BVEXGQHOBZRFGZ-NJDFBWEVSA-N 1 1 307.437 4.478 40 0 DIABMO O[C@H](c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[N@H+]1C1CCCCC1 ZINC000031719414 563440605 /nfs/dbraw/zinc/44/06/05/563440605.db2.gz BVEXGQHOBZRFGZ-NJDFBWEVSA-N 1 1 307.437 4.478 40 0 DIABMO Cc1ccc(CN2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)o1 ZINC000096058320 563532104 /nfs/dbraw/zinc/53/21/04/563532104.db2.gz ZCLVVDRYRGXWIO-ACRUOGEOSA-N 1 1 324.468 4.199 40 0 DIABMO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000216865289 563712308 /nfs/dbraw/zinc/71/23/08/563712308.db2.gz NGCUYMKHNHTWJO-CHWSQXEVSA-N 1 1 317.477 4.044 40 0 DIABMO O[C@@]12C[C@H](c3ccccc3)[N@@H+](Cc3ccccc3)[C@@H]1CCCC2 ZINC000219773838 563721738 /nfs/dbraw/zinc/72/17/38/563721738.db2.gz RIWFQVVQINEPLK-NJYVYQBISA-N 1 1 307.437 4.307 40 0 DIABMO O[C@@]12C[C@@H](c3ccccc3)[N@@H+](Cc3ccccc3)[C@@H]1CCCC2 ZINC000219773761 563721831 /nfs/dbraw/zinc/72/18/31/563721831.db2.gz RIWFQVVQINEPLK-HBMCJLEFSA-N 1 1 307.437 4.307 40 0 biogenic DIABMO CC(C)C[N@H+]1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257216061 563790327 /nfs/dbraw/zinc/79/03/27/563790327.db2.gz CSYBCMGZNZLOST-INIZCTEOSA-N 1 1 316.420 4.240 40 0 DIABMO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncn3ccsc23)cc1 ZINC000257284802 563792738 /nfs/dbraw/zinc/79/27/38/563792738.db2.gz PEJLCDGDZXBVHZ-OAHLLOKOSA-N 1 1 315.417 4.262 40 0 DIABMO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2ncn3ccsc23)cc1 ZINC000257284802 563792742 /nfs/dbraw/zinc/79/27/42/563792742.db2.gz PEJLCDGDZXBVHZ-OAHLLOKOSA-N 1 1 315.417 4.262 40 0 DIABMO C[C@H]1Cc2ccccc2CN1c1cc[nH+]c(NC2CCCCC2)n1 ZINC000329010870 563832577 /nfs/dbraw/zinc/83/25/77/563832577.db2.gz MCWCORSLKCKAAR-HNNXBMFYSA-N 1 1 322.456 4.172 40 0 DIABMO CC(C)(C)C[N@@H+]1CCO[C@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019692875 563922778 /nfs/dbraw/zinc/92/27/78/563922778.db2.gz WYCXXFOEMVHGKI-FQEVSTJZSA-N 1 1 324.468 4.092 40 0 DIABMO CC(C)(C)C[N@H+]1CCO[C@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019692875 563922779 /nfs/dbraw/zinc/92/27/79/563922779.db2.gz WYCXXFOEMVHGKI-FQEVSTJZSA-N 1 1 324.468 4.092 40 0 DIABMO Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](Cc1ccoc1)CC3 ZINC000001565943 568412238 /nfs/dbraw/zinc/41/22/38/568412238.db2.gz RDALYHSEPOUIRE-CEWLAPEOSA-N 1 1 323.436 4.244 40 0 DIABMO O=C1CCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC001547139819 1058238599 /nfs/dbraw/zinc/23/85/99/1058238599.db2.gz NVSZUEYKAZDGCT-ZJOUEHCJSA-N 1 1 305.421 4.024 40 0 DIABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072379141 191141468 /nfs/dbraw/zinc/14/14/68/191141468.db2.gz UCFWEJOCIUJCGZ-QGZVFWFLSA-N 1 1 324.472 4.088 40 0 DIABMO CCC(=O)O[C@@]1(c2ccccc2)C[C@@H](C(C)(C)C)C[N@@H+](C)[C@@H]1C ZINC000004594141 181128149 /nfs/dbraw/zinc/12/81/49/181128149.db2.gz HXMYADUYVHAIOZ-MDYRTPRTSA-N 1 1 317.473 4.221 40 0 DIABMO C[N@H+]1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000004744326 181145933 /nfs/dbraw/zinc/14/59/33/181145933.db2.gz CMARNPIDSNAMJM-MSOLQXFVSA-N 1 1 301.817 4.150 40 0 in-man DIABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](C[C@@H]1CCCN3CCCC[C@H]13)C2 ZINC000005425245 181242541 /nfs/dbraw/zinc/24/25/41/181242541.db2.gz BMRXTFOKVYWSJF-JRBPQWBISA-N 1 1 304.522 4.152 40 0 DIABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](C[C@@H]1CCCN3CCCC[C@H]13)C2 ZINC000005425245 181242543 /nfs/dbraw/zinc/24/25/43/181242543.db2.gz BMRXTFOKVYWSJF-JRBPQWBISA-N 1 1 304.522 4.152 40 0 DIABMO CC1(C)[C@H]2CC[C@H](C2)[C@@H]1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000005492734 181249213 /nfs/dbraw/zinc/24/92/13/181249213.db2.gz MLTMAMPTDYDEJA-IMFGXOCKSA-N 1 1 311.469 4.076 40 0 DIABMO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CC1)CC3 ZINC000005766102 181282402 /nfs/dbraw/zinc/28/24/02/181282402.db2.gz PSWCBSBDTUQQIX-CEWLAPEOSA-N 1 1 311.469 4.164 40 0 DIABMO Cc1cc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)ccc1C(C)C ZINC000006008656 181305460 /nfs/dbraw/zinc/30/54/60/181305460.db2.gz RHJQCYHOOZGEOK-GOSISDBHSA-N 1 1 319.489 4.123 40 0 DIABMO Cc1ccsc1C[N@H+]1CCCC[C@@H]1c1ncn2ccsc12 ZINC000257340913 203063224 /nfs/dbraw/zinc/06/32/24/203063224.db2.gz ZIBUYDFPSPXUGZ-CYBMUJFWSA-N 1 1 317.483 4.493 40 0 DIABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2ccccn12 ZINC000019240670 182111870 /nfs/dbraw/zinc/11/18/70/182111870.db2.gz UYHZAKAZKBCEGR-KRWDZBQOSA-N 1 1 323.415 4.161 40 0 DIABMO Cc1nc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)c2ccccn12 ZINC000019240664 182112174 /nfs/dbraw/zinc/11/21/74/182112174.db2.gz NIMOGNJKBGGHHD-IBGZPJMESA-N 1 1 319.452 4.065 40 0 DIABMO Fc1cccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c1 ZINC000019293929 182113313 /nfs/dbraw/zinc/11/33/13/182113313.db2.gz KXEPREUXBVAONS-HNNXBMFYSA-N 1 1 318.442 4.417 40 0 DIABMO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccc(F)c2F)on1 ZINC000019120303 182105041 /nfs/dbraw/zinc/10/50/41/182105041.db2.gz IAPXEWNQOPXQJD-HNNXBMFYSA-N 1 1 306.356 4.379 40 0 DIABMO Cc1cc([C@@H]2CCCCC[N@H+]2Cc2cccc(F)c2F)on1 ZINC000019120303 182105043 /nfs/dbraw/zinc/10/50/43/182105043.db2.gz IAPXEWNQOPXQJD-HNNXBMFYSA-N 1 1 306.356 4.379 40 0 DIABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1 ZINC000019346907 182117573 /nfs/dbraw/zinc/11/75/73/182117573.db2.gz JYFVHGFLSFULOP-MRXNPFEDSA-N 1 1 309.388 4.082 40 0 DIABMO COc1ccccc1C[N@H+]1CC[C@H](c2cc3ccccc3cn2)C1 ZINC000019570064 182130046 /nfs/dbraw/zinc/13/00/46/182130046.db2.gz DCSQSCQYAHKNNV-SFHVURJKSA-N 1 1 318.420 4.233 40 0 DIABMO Cc1ccc(C[N@H+](CCCOC(C)C)Cc2ccncc2)s1 ZINC000057797119 184052979 /nfs/dbraw/zinc/05/29/79/184052979.db2.gz RMZCFGBGGALXHU-UHFFFAOYSA-N 1 1 318.486 4.269 40 0 DIABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216722 257125631 /nfs/dbraw/zinc/12/56/31/257125631.db2.gz LOAPWGDINOWBKU-GOSISDBHSA-N 1 1 301.478 4.397 40 0 DIABMO CCC[N@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214337 257126490 /nfs/dbraw/zinc/12/64/90/257126490.db2.gz NOGLBSNNOHBEEP-HNNXBMFYSA-N 1 1 319.449 4.366 40 0 DIABMO CCN(C)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212803 257127100 /nfs/dbraw/zinc/12/71/00/257127100.db2.gz AXHJWLDWGDEWNG-LJQANCHMSA-N 1 1 309.457 4.265 40 0 DIABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212960 257127267 /nfs/dbraw/zinc/12/72/67/257127267.db2.gz XWJXGOHKTDZUNP-SFHVURJKSA-N 1 1 303.494 4.498 40 0 DIABMO CCc1cccc2c(Nc3ccc(C(=O)OC)cc3)cc[nH+]c12 ZINC000064874799 257128824 /nfs/dbraw/zinc/12/88/24/257128824.db2.gz DDXPROWKLJTWKM-UHFFFAOYSA-N 1 1 306.365 4.327 40 0 DIABMO OCC[N@@H+](Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001745177 563294755 /nfs/dbraw/zinc/29/47/55/563294755.db2.gz FWZVKZNNACLWTD-UHFFFAOYSA-N 1 1 317.432 4.271 40 0 DIABMO CCCC[N@H+]1CC[C@@H](CNc2ccnc3cc(Cl)ccc32)C1 ZINC000002048046 563298225 /nfs/dbraw/zinc/29/82/25/563298225.db2.gz POCBOQIQIWTVTO-AWEZNQCLSA-N 1 1 317.864 4.422 40 0 DIABMO Fc1ccc(C[N@@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)cc1F ZINC000012234080 563364528 /nfs/dbraw/zinc/36/45/28/563364528.db2.gz MQGBMWJUPPIBFX-KRWDZBQOSA-N 1 1 313.351 4.178 40 0 DIABMO Fc1ccc(C[N@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)cc1F ZINC000012234080 563364531 /nfs/dbraw/zinc/36/45/31/563364531.db2.gz MQGBMWJUPPIBFX-KRWDZBQOSA-N 1 1 313.351 4.178 40 0 DIABMO O[C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000031719415 563440797 /nfs/dbraw/zinc/44/07/97/563440797.db2.gz BVEXGQHOBZRFGZ-NJTYFVPYSA-N 1 1 307.437 4.478 40 0 DIABMO O[C@H](c1ccccc1)[C@H]1[C@@H](c2ccccc2)[N@H+]1C1CCCCC1 ZINC000031719415 563440798 /nfs/dbraw/zinc/44/07/98/563440798.db2.gz BVEXGQHOBZRFGZ-NJTYFVPYSA-N 1 1 307.437 4.478 40 0 DIABMO CC[C@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100296 563516840 /nfs/dbraw/zinc/51/68/40/563516840.db2.gz JVUXNZYQENGYRY-FXAWDEMLSA-N 1 1 320.521 4.212 40 0 DIABMO O[C@@H]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951716 563531335 /nfs/dbraw/zinc/53/13/35/563531335.db2.gz ASUIJTQOWIPBJV-GXRSIYKFSA-N 1 1 321.464 4.206 40 0 DIABMO C[N@H+]1CCC[C@@H]1CCOc1cccc(F)c1Oc1ccccc1 ZINC000585266227 563537204 /nfs/dbraw/zinc/53/72/04/563537204.db2.gz QSWNUGRGGLANIM-OAHLLOKOSA-N 1 1 315.388 4.481 40 0 DIABMO c1csc(C[NH+](Cc2cccs2)Cc2cccnc2)c1 ZINC000013569691 563660426 /nfs/dbraw/zinc/66/04/26/563660426.db2.gz HPAAHDDHHHXLNA-UHFFFAOYSA-N 1 1 300.452 4.407 40 0 DIABMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169367 563701199 /nfs/dbraw/zinc/70/11/99/563701199.db2.gz CKDGOWUAGAVDGI-SFHVURJKSA-N 1 1 319.408 4.035 40 0 biogenic,in-vitro DIABMO Cc1ccccc1N(CC(=O)c1ccccc1)C1=[NH+]CCCC1 ZINC000008415760 563722470 /nfs/dbraw/zinc/72/24/70/563722470.db2.gz BSGVKIDNXDDIMT-UHFFFAOYSA-N 1 1 306.409 4.267 40 0 DIABMO Cc1cnc(-c2cc(C)nc([C@@H]3CCCC[N@H+]3C(C)C)n2)s1 ZINC000257216963 563790881 /nfs/dbraw/zinc/79/08/81/563790881.db2.gz CWWHLLJBXMMUPN-HNNXBMFYSA-N 1 1 316.474 4.152 40 0 DIABMO Cc1cnc(-c2cc(C)nc([C@@H]3CCCC[N@@H+]3C(C)C)n2)s1 ZINC000257216963 563790885 /nfs/dbraw/zinc/79/08/85/563790885.db2.gz CWWHLLJBXMMUPN-HNNXBMFYSA-N 1 1 316.474 4.152 40 0 DIABMO CC[C@@H](C)Nc1cc(N2CCc3ccccc3C2)[nH+]c(C(C)C)n1 ZINC000328967229 563832813 /nfs/dbraw/zinc/83/28/13/563832813.db2.gz CRKHIRVOFVRMBR-OAHLLOKOSA-N 1 1 324.472 4.373 40 0 DIABMO CCNc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C(C)C)n1 ZINC000329046514 563833579 /nfs/dbraw/zinc/83/35/79/563833579.db2.gz UBMMMZGDOXJOJZ-UHFFFAOYSA-N 1 1 324.472 4.330 40 0 DIABMO Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2[nH+]1 ZINC000001568017 563924805 /nfs/dbraw/zinc/92/48/05/563924805.db2.gz PFAYJJZRASFRBB-UHFFFAOYSA-N 1 1 318.405 4.099 40 0 DIABMO Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](Cc1ccoc1)CC3 ZINC000001565944 568412247 /nfs/dbraw/zinc/41/22/47/568412247.db2.gz RDALYHSEPOUIRE-HMXCVIKNSA-N 1 1 323.436 4.244 40 0 DIABMO CCc1ccc(C[N@H+](Cc2sccc2C)C[C@@H](C)O)cc1 ZINC000013991367 1041502555 /nfs/dbraw/zinc/50/25/55/1041502555.db2.gz YTLUXBFFPHILTM-OAHLLOKOSA-N 1 1 303.471 4.002 40 0 DIABMO c1nc([C@@H]2CCC[N@@H+]2C2CCC2)c2ccc(-c3cccnc3)cn12 ZINC000306124631 231082994 /nfs/dbraw/zinc/08/29/94/231082994.db2.gz BVKQAXXOAIZESC-IBGZPJMESA-N 1 1 318.424 4.086 40 0 DIABMO Cc1ccccc1CN(Cc1ccccc1C)C[C@@H]1CCC[NH2+]C1 ZINC000072204001 191075525 /nfs/dbraw/zinc/07/55/25/191075525.db2.gz ZAUGVVOWBOGFRT-HXUWFJFHSA-N 1 1 322.496 4.305 40 0 DIABMO C[N@H+]1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072357524 191131015 /nfs/dbraw/zinc/13/10/15/191131015.db2.gz XLBYJDVNOCGMRG-KRWDZBQOSA-N 1 1 320.358 4.458 40 0 DIABMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@]1(OC(=O)c1ccccc1)c1ccccc1 ZINC000004011833 181062060 /nfs/dbraw/zinc/06/20/60/181062060.db2.gz ADUJECNUNSENPU-LLGFUMIMSA-N 1 1 323.436 4.099 40 0 DIABMO C[C@@H]1[C@H](C(O)(c2ccccc2)c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000004742965 181146274 /nfs/dbraw/zinc/14/62/74/181146274.db2.gz NRUYMSXTSXGBII-DHIFELSQSA-N 1 1 321.464 4.328 40 0 DIABMO C[C@@H]1[C@H](C(O)(c2ccccc2)c2ccccc2)[N@H+]1C1CCCCC1 ZINC000004742965 181146275 /nfs/dbraw/zinc/14/62/75/181146275.db2.gz NRUYMSXTSXGBII-DHIFELSQSA-N 1 1 321.464 4.328 40 0 DIABMO OCC[C@H]1CCCC[N@H+]1[C@H](Cc1ccccc1)c1ccccc1 ZINC000004777673 181151382 /nfs/dbraw/zinc/15/13/82/181151382.db2.gz INMDWRODOYMYGJ-NHCUHLMSSA-N 1 1 309.453 4.207 40 0 DIABMO CCSc1ccc(C(=O)[C@]2(C)Cc3ccccc3C[NH2+]2)cc1 ZINC000005618482 181264466 /nfs/dbraw/zinc/26/44/66/181264466.db2.gz LGPRKQWPXZPGFU-IBGZPJMESA-N 1 1 311.450 4.086 40 0 DIABMO CCC[N@@H+](CCNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000005838731 181288631 /nfs/dbraw/zinc/28/86/31/181288631.db2.gz RCVJKZIMWUDHPW-HNNXBMFYSA-N 1 1 315.461 4.166 40 0 DIABMO CCC[C@@H](O)C[N@@H+](C)Cc1cc2c(c3ccccc13)CCCC2 ZINC000006381273 181335877 /nfs/dbraw/zinc/33/58/77/181335877.db2.gz UOHIGTSTTORWPE-GOSISDBHSA-N 1 1 311.469 4.311 40 0 DIABMO Cc1nc([C@]2(C)CCC[N@H+](C3CCCC3)C2)c2sccn12 ZINC000257328766 203053751 /nfs/dbraw/zinc/05/37/51/203053751.db2.gz XHAMWHGSGPGOGZ-QGZVFWFLSA-N 1 1 303.475 4.000 40 0 DIABMO C[C@@H]1C[N@H+](C[C@@H]2CCCCCCCCCCC2=O)C[C@H](C)O1 ZINC000016911530 182064186 /nfs/dbraw/zinc/06/41/86/182064186.db2.gz KSYWAODCCAPCLX-KSZLIROESA-N 1 1 309.494 4.196 40 0 DIABMO Cc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1C ZINC000019213909 182107308 /nfs/dbraw/zinc/10/73/08/182107308.db2.gz KQHBGMDBUUTCGF-VQTJNVASSA-N 1 1 313.416 4.057 40 0 DIABMO CCn1ncc(C[N@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000019523923 182128680 /nfs/dbraw/zinc/12/86/80/182128680.db2.gz UXBMIMQTOMEVBN-HXUWFJFHSA-N 1 1 323.484 4.371 40 0 DIABMO Cc1cc(N2CCCCC2)ncc1[C@H]1CCC[N@@H+]1CC(C)C ZINC000072219224 257124590 /nfs/dbraw/zinc/12/45/90/257124590.db2.gz ZUNJJXVLVBBIJK-GOSISDBHSA-N 1 1 301.478 4.173 40 0 DIABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216706 257125222 /nfs/dbraw/zinc/12/52/22/257125222.db2.gz NINBJCWQBVHBQM-SFHVURJKSA-N 1 1 301.478 4.255 40 0 DIABMO Brc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211542 257126806 /nfs/dbraw/zinc/12/68/06/257126806.db2.gz JUPLTAIGZMZQGA-OAHLLOKOSA-N 1 1 317.230 4.181 40 0 DIABMO Brc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211542 257126808 /nfs/dbraw/zinc/12/68/08/257126808.db2.gz JUPLTAIGZMZQGA-OAHLLOKOSA-N 1 1 317.230 4.181 40 0 DIABMO C[N@H+]1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000001319936 563271052 /nfs/dbraw/zinc/27/10/52/563271052.db2.gz WEUCDJCFJHYFRL-LJQANCHMSA-N 1 1 314.860 4.067 40 0 in-man DIABMO CN1CCC[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000001319936 563271053 /nfs/dbraw/zinc/27/10/53/563271053.db2.gz WEUCDJCFJHYFRL-LJQANCHMSA-N 1 1 314.860 4.067 40 0 in-man DIABMO C[C@@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)[N@@H+]1C1CCCCC1 ZINC000001690380 563292059 /nfs/dbraw/zinc/29/20/59/563292059.db2.gz NRUYMSXTSXGBII-XGASYVDGSA-N 1 1 321.464 4.328 40 0 DIABMO C[C@@H]1[C@@H](C(O)(c2ccccc2)c2ccccc2)[N@H+]1C1CCCCC1 ZINC000001690380 563292062 /nfs/dbraw/zinc/29/20/62/563292062.db2.gz NRUYMSXTSXGBII-XGASYVDGSA-N 1 1 321.464 4.328 40 0 DIABMO Cc1c2cc(C)ccc2[nH]c1C[N@H+](C)[C@@H](C)Cc1ccccn1 ZINC000012148194 563362927 /nfs/dbraw/zinc/36/29/27/563362927.db2.gz VPDURSJMXGWGLG-HNNXBMFYSA-N 1 1 307.441 4.243 40 0 DIABMO CC(C)OCCC[N@@H+](Cc1ccncc1)Cc1cccc(F)c1 ZINC000012147862 563363103 /nfs/dbraw/zinc/36/31/03/563363103.db2.gz ZVVJHXYVCQRZQT-UHFFFAOYSA-N 1 1 316.420 4.038 40 0 DIABMO CCCc1cc([C@H]2CCCCC[N@@H+]2Cc2cccc(C)n2)no1 ZINC000012143952 563363330 /nfs/dbraw/zinc/36/33/30/563363330.db2.gz KAMMVGJJLTUKEC-LJQANCHMSA-N 1 1 313.445 4.448 40 0 DIABMO CCCc1cc([C@H]2CCCCC[N@H+]2Cc2cccc(C)n2)no1 ZINC000012143952 563363333 /nfs/dbraw/zinc/36/33/33/563363333.db2.gz KAMMVGJJLTUKEC-LJQANCHMSA-N 1 1 313.445 4.448 40 0 DIABMO C=Cn1ncc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)c1C ZINC000012337398 563366008 /nfs/dbraw/zinc/36/60/08/563366008.db2.gz FXUUDTZVVWDQCW-FQEVSTJZSA-N 1 1 321.468 4.452 40 0 DIABMO CCOC(=O)c1oc2ccc(Cl)cc2c1C[NH+]1CCCCC1 ZINC000015017681 563405850 /nfs/dbraw/zinc/40/58/50/563405850.db2.gz YWJIGUSEOLQDAS-UHFFFAOYSA-N 1 1 321.804 4.249 40 0 DIABMO CCCC[N@H+]1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 ZINC000585100242 563516730 /nfs/dbraw/zinc/51/67/30/563516730.db2.gz ISOAZBDCRREOMM-HXUWFJFHSA-N 1 1 320.521 4.214 40 0 DIABMO O=C1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)C[N@H+]2Cc1ccccc1 ZINC000095951714 563531348 /nfs/dbraw/zinc/53/13/48/563531348.db2.gz KRJQERWTNABLPQ-KCZVDYSFSA-N 1 1 319.448 4.414 40 0 biogenic DIABMO Cc1cccn2c(NC3CCCC3)c(-c3ccc(O)cc3)[nH+]c12 ZINC000000417903 563609056 /nfs/dbraw/zinc/60/90/56/563609056.db2.gz ROSCLOPIZNZZOB-UHFFFAOYSA-N 1 1 307.397 4.370 40 0 DIABMO Clc1cccc(C[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000049169033 563701057 /nfs/dbraw/zinc/70/10/57/563701057.db2.gz OVRBODIQRFMCNG-AWEZNQCLSA-N 1 1 311.816 4.206 40 0 biogenic,in-vitro DIABMO Cc1cnc(-c2ccc([C@@H]3CCC[N@H+](C(C)C)C3)nc2)s1 ZINC000257208438 563789649 /nfs/dbraw/zinc/78/96/49/563789649.db2.gz BMDVBOVEWUCOBU-OAHLLOKOSA-N 1 1 301.459 4.101 40 0 DIABMO Fc1cccc(Cc2cnc([C@@H]3CCC[N@H+]3C3CCCC3)o2)c1 ZINC000257228313 563790461 /nfs/dbraw/zinc/79/04/61/563790461.db2.gz FTJJNMRZCYUELR-SFHVURJKSA-N 1 1 314.404 4.484 40 0 DIABMO Cc1cnc(-c2cc(C)nc([C@H]3CCCC[N@H+]3C(C)C)n2)s1 ZINC000257216964 563790580 /nfs/dbraw/zinc/79/05/80/563790580.db2.gz CWWHLLJBXMMUPN-OAHLLOKOSA-N 1 1 316.474 4.152 40 0 DIABMO Cc1cnc(-c2cc(C)nc([C@H]3CCCC[N@@H+]3C(C)C)n2)s1 ZINC000257216964 563790582 /nfs/dbraw/zinc/79/05/82/563790582.db2.gz CWWHLLJBXMMUPN-OAHLLOKOSA-N 1 1 316.474 4.152 40 0 DIABMO CC(C)C[N@H+]1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257216062 563790982 /nfs/dbraw/zinc/79/09/82/563790982.db2.gz CSYBCMGZNZLOST-MRXNPFEDSA-N 1 1 316.420 4.240 40 0 DIABMO Cc1ccccc1-c1noc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000257230555 563791397 /nfs/dbraw/zinc/79/13/97/563791397.db2.gz GCVRIYAOYMYQMO-QGZVFWFLSA-N 1 1 319.408 4.035 40 0 DIABMO CC[C@@H](C)Nc1nc(N2Cc3ccccc3CC2(C)C)cc[nH+]1 ZINC000328968451 563832695 /nfs/dbraw/zinc/83/26/95/563832695.db2.gz CZNFNLJOGHRQOD-CQSZACIVSA-N 1 1 310.445 4.028 40 0 DIABMO Cc1nc(NC2CCCC2)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000329063837 563833410 /nfs/dbraw/zinc/83/34/10/563833410.db2.gz XFPGWXVXHKCUHP-CQSZACIVSA-N 1 1 322.456 4.091 40 0 DIABMO C[C@@H]1c2ccccc2CCN1c1cc[nH+]c(NC2CCCCC2)n1 ZINC000329015347 563833764 /nfs/dbraw/zinc/83/37/64/563833764.db2.gz NAINSXJQTIZTAQ-OAHLLOKOSA-N 1 1 322.456 4.345 40 0 DIABMO CC1(C)Cc2ccccc2CN1c1cc[nH+]c(NC2CCCC2)n1 ZINC000329017947 563833885 /nfs/dbraw/zinc/83/38/85/563833885.db2.gz NOBVJRXERIMING-UHFFFAOYSA-N 1 1 322.456 4.172 40 0 DIABMO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@@H+]1CCC[C@H](C)C1 ZINC000216866630 563856418 /nfs/dbraw/zinc/85/64/18/563856418.db2.gz FEVPBAIAYZMUKA-AWEZNQCLSA-N 1 1 323.440 4.066 40 0 DIABMO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@H+]1CCC[C@H](C)C1 ZINC000216866630 563856420 /nfs/dbraw/zinc/85/64/20/563856420.db2.gz FEVPBAIAYZMUKA-AWEZNQCLSA-N 1 1 323.440 4.066 40 0 DIABMO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000216865313 563857103 /nfs/dbraw/zinc/85/71/03/563857103.db2.gz NGCUYMKHNHTWJO-BETUJISGSA-N 1 1 317.477 4.044 40 0 DIABMO Cc1cc(N)c(NC(=O)C(C)(C)C)cc1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000216865313 563857106 /nfs/dbraw/zinc/85/71/06/563857106.db2.gz NGCUYMKHNHTWJO-BETUJISGSA-N 1 1 317.477 4.044 40 0 DIABMO Fc1cccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC000013989200 1041502926 /nfs/dbraw/zinc/50/29/26/1041502926.db2.gz DKGZDDZDGCYUMA-UHFFFAOYSA-N 1 1 306.384 4.423 40 0 DIABMO Fc1cccc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)c1 ZINC000013989200 1041502930 /nfs/dbraw/zinc/50/29/30/1041502930.db2.gz DKGZDDZDGCYUMA-UHFFFAOYSA-N 1 1 306.384 4.423 40 0 DIABMO CCC[N@H+]1CC(CSC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC001560408685 1060192937 /nfs/dbraw/zinc/19/29/37/1060192937.db2.gz RAQPLVYJXKOEPO-SJLPKXTDSA-N 1 1 313.490 4.229 40 0 DIABMO